(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane

C94H182N4O30S25 — CID 159198478

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane
SMILESO=C(CCOCCOCCOCCOCc1cn(CCCCCCCCCCOCC(COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)(COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)nn1)ON1C(=O)CCC1=O.S
InChIInChI=1S/C94H180N4O30S24.H2S/c99-91-9-10-92(100)98(91)128-93(101)11-14-102-15-16-103-17-18-104-19-20-105-22-69-21-97(96-95-69)12-7-5-3-1-2-4-6-8-13-106-65-94(66-116-35-73(119-38-76(125-50-88(150)62-138)32-113-44-82(144)56-132)26-107-23-70(122-47-85(147)59-135)29-110-41-79(141)53-129,67-117-36-74(120-39-77(126-51-89(151)63-139)33-114-45-83(145)57-133)27-108-24-71(123-48-86(148)60-136)30-111-42-80(142)54-130)68-118-37-75(121-40-78(127-52-90(152)64-140)34-115-46-84(146)58-134)28-109-25-72(124-49-87(149)61-137)31-112-43-81(143)55-131;/h21,70-90,129-152H,1-20,22-68H2;1H2
InChIKeyKOYYRIVPRLGDLF-UHFFFAOYSA-N
MW2650.16 g/mol
LogP10.48
Rot. Bonds115

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane (PubChem CID 159198478) has the molecular formula C94H182N4O30S25 and a molecular weight of 2650.16 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane
PubChem CID159198478
Molecular FormulaC94H182N4O30S25
Molecular Weight2650.16 g/mol
Exact Mass2646.59
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane
SMILESO=C(CCOCCOCCOCCOCc1cn(CCCCCCCCCCOCC(COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)(COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)nn1)ON1C(=O)CCC1=O.S
InChIInChI=1S/C94H180N4O30S24.H2S/c99-91-9-10-92(100)98(91)128-93(101)11-14-102-15-16-103-17-18-104-19-20-105-22-69-21-97(96-95-69)12-7-5-3-1-2-4-6-8-13-106-65-94(66-116-35-73(119-38-76(125-50-88(150)62-138)32-113-44-82(144)56-132)26-107-23-70(122-47-85(147)59-135)29-110-41-79(141)53-129,67-117-36-74(120-39-77(126-51-89(151)63-139)33-114-45-83(145)57-133)27-108-24-71(123-48-86(148)60-136)30-111-42-80(142)54-130)68-118-37-75(121-40-78(127-52-90(152)64-140)34-115-46-84(146)58-134)28-109-25-72(124-49-87(149)61-137)31-112-43-81(143)55-131;/h21,70-90,129-152H,1-20,22-68H2;1H2
InChIKeyKOYYRIVPRLGDLF-UHFFFAOYSA-N
XLogP10.48
TPSA334.37 Ų
H-Bond Donors24
H-Bond Acceptors57
Rotatable Bonds115
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002650.16
LogP ≤ 510.48
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-[[1-[2-(2-(18F)fluoroethoxy)ethyl]triazol-4-yl]methoxy]propanoate
CID 59470497
(2,5-dioxopyrrolidin-1-yl) 3-[2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]methyl]-3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)propoxy]propanoate
CID 89137202
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 3-[2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]methyl]-3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]-2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxymethyl]propoxy]propanoate;methane
CID 160716988
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(1-pentyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 138737681
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]-2,2-bis[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxymethyl]propoxy]propyl] butanedioate
CID 121354388
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 160762335
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078181
4-[2-[2-[2-[2-[2-[2-[2-[[1-(5-methylhexyl)triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 138710009
(2,5-dioxopyrrolidin-1-yl) 3-[3-(3-prop-2-enoyloxypropoxy)-2,2-bis(3-prop-2-enoyloxypropoxymethyl)propoxy]propanoate
CID 89137179
(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate
CID 118440512

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane (CID 159198478) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane is O=C(CCOCCOCCOCCOCc1cn(CCCCCCCCCCOCC(COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)(COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)COCC(COCC(COCC(S)CS)OCC(S)CS)OCC(COCC(S)CS)OCC(S)CS)nn1)ON1C(=O)CCC1=O.S.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane?
The InChIKey is KOYYRIVPRLGDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H180N4O30S24.H2S/c99-91-9-10-92(100)98(91)128-93(101)11-14-102-15-16-103-17-18-104-19-20-105-22-69-21-97(96-95-69)12-7-5-3-1-2-4-6-8-13-106-65-94(66-116-35-73(119-38-76(125-50-88(150)62-138)32-113-44-82(144)56-132)26-107-23-70(122-47-85(147)59-135)29-110-41-79(141)53-129,67-117-36-74(120-39-77(126-51-89(151)63-139)33-114-45-83(145)57-133)27-108-24-71(123-48-86(148)60-136)30-111-42-80(142)54-130)68-118-37-75(121-40-78(127-52-90(152)64-140)34-115-46-84(146)58-134)28-109-25-72(124-49-87(149)61-137)31-112-43-81(143)55-131;/h21,70-90,129-152H,1-20,22-68H2;1H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane has a molecular weight of 2650.16 g/mol, XLogP of 10.48, 115 rotatable bonds, 24 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[1-[10-[3-[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxy]-2,2-bis[2,3-bis[2,3-bis[2,3-bis(sulfanyl)propoxy]propoxy]propoxymethyl]propoxy]decyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]propanoate;sulfane is sourced from PubChem (CID 159198478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).