N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide

C10H20N2O4S2 — CID 87700654

IUPACN-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
SMILESO=C(CSSCC(=O)NCCCO)NCCCO
InChIInChI=1S/C10H20N2O4S2/c13-5-1-3-11-9(15)7-17-18-8-10(16)12-4-2-6-14/h13-14H,1-8H2,(H,11,15)(H,12,16)
InChIKeyOWYCDWJCVZZJTK-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.63
Rot. Bonds11

About N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide

N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide (PubChem CID 87700654) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
PubChem CID87700654
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC NameN-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
SMILESO=C(CSSCC(=O)NCCCO)NCCCO
InChIInChI=1S/C10H20N2O4S2/c13-5-1-3-11-9(15)7-17-18-8-10(16)12-4-2-6-14/h13-14H,1-8H2,(H,11,15)(H,12,16)
InChIKeyOWYCDWJCVZZJTK-UHFFFAOYSA-N
XLogP-0.63
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-Aminoethyldisulfanyl)propanoylamino]propyl hypofluorite
CID 155711113
2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide
CID 20756417
N-(3-Hydroxypropyl)-2-mercaptoacetamide
CID 21715973
2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-lambda4-sulfanyl)propyl]acetamide;ethanol
CID 54319399
N-(2-hydroxypropyl)-2-[[2-(2-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
CID 87700525
N-(2-hydroxyethyl)-3-[2-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyldisulfanyl]ethylamino]propanamide
CID 88426118
4-hydroxy-2-[[4-hydroxy-1-oxo-1-(propylamino)butan-2-yl]disulfanyl]-N-propylbutanamide
CID 88493150
N-ethyl-2-[[1-(ethylamino)-4-hydroxy-1-oxobutan-2-yl]disulfanyl]-4-hydroxybutanamide
CID 88493196
N-ethyl-2-[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]disulfanyl]-3-hydroxypropanamide
CID 88493311
N-(3-hydroxypropyl)-3-sulfanylpropanamide
CID 108468863
3-[3-hydroxypropyl-[3-oxo-3-(2-sulfanylethylamino)propyl]amino]-N-(2-sulfanylethyl)propanamide
CID 129156439
3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 131977326

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide (CID 87700654) is N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide is O=C(CSSCC(=O)NCCCO)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
The InChIKey is OWYCDWJCVZZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c13-5-1-3-11-9(15)7-17-18-8-10(16)12-4-2-6-14/h13-14H,1-8H2,(H,11,15)(H,12,16).
What are the key properties of N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide?
N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of -0.63, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide is sourced from PubChem (CID 87700654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).