ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide

C19H42N6O4S2 — CID 143740352

IUPACethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
SMILESCC.CC.CNNC(=O)CCCC(=O)NCCSSCCNC(=O)CCCC(=O)NN
InChIInChI=1S/C15H30N6O4S2.2C2H6/c1-17-21-15(25)7-3-5-13(23)19-9-11-27-26-10-8-18-12(22)4-2-6-14(24)20-16;2*1-2/h17H,2-11,16H2,1H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25);2*1-2H3
InChIKeyQSWYHVVHMSSRNE-UHFFFAOYSA-N
MW482.72 g/mol
LogP1.23
Rot. Bonds16

About ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide

ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide (PubChem CID 143740352) has the molecular formula C19H42N6O4S2 and a molecular weight of 482.72 g/mol. Its IUPAC name is ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide.

Molecular Properties

Compound Nameethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
PubChem CID143740352
Molecular FormulaC19H42N6O4S2
Molecular Weight482.72 g/mol
Exact Mass482.27
IUPAC Nameethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
SMILESCC.CC.CNNC(=O)CCCC(=O)NCCSSCCNC(=O)CCCC(=O)NN
InChIInChI=1S/C15H30N6O4S2.2C2H6/c1-17-21-15(25)7-3-5-13(23)19-9-11-27-26-10-8-18-12(22)4-2-6-14(24)20-16;2*1-2/h17H,2-11,16H2,1H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25);2*1-2H3
InChIKeyQSWYHVVHMSSRNE-UHFFFAOYSA-N
XLogP1.23
TPSA154.45 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.72
LogP ≤ 51.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide
CID 56675271
5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
CID 25104331
6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide
CID 25104332
N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104448
5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
CID 59203680
7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide
CID 59364567
N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[[3-(2-methylhydrazinyl)-3-oxopropyl]amino]-4-oxobutyl]disulfanyl]butanamide
CID 129312372
7-hydrazinyl-N-(2-methylsulfanylethyl)-7-oxoheptanamide;7-(2-methylhydrazinyl)-7-oxo-N-propylheptanamide
CID 143690477
ethane;4-hydrazinyl-N-[2-[2-[[4-(2-methylhydrazinyl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
CID 143740354
ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide
CID 143740361
5-hydrazinyl-N-methyl-5-oxopentanamide;5-hydrazinyl-5-oxo-N-[2-(propyldisulfanyl)ethyl]pentanamide
CID 158290479
7-hydrazinyl-N-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethyldisulfanyl]ethyl]-7-oxoheptanamide;6-hydrazinyl-N-[2-[2-[(6-hydrazinyl-6-oxohexanoyl)amino]ethyldisulfanyl]ethyl]-6-oxohexanamide;5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
CID 159251092

Frequently Asked Questions

What is the IUPAC name of ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
The IUPAC name of ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide (CID 143740352) is ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide.
What is the SMILES notation for ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
The canonical SMILES for ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide is CC.CC.CNNC(=O)CCCC(=O)NCCSSCCNC(=O)CCCC(=O)NN.
What is the InChIKey of ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
The InChIKey is QSWYHVVHMSSRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O4S2.2C2H6/c1-17-21-15(25)7-3-5-13(23)19-9-11-27-26-10-8-18-12(22)4-2-6-14(24)20-16;2*1-2/h17H,2-11,16H2,1H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25);2*1-2H3.
What are the key properties of ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide?
ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide has a molecular weight of 482.72 g/mol, XLogP of 1.23, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydrazinyl-N-[2-[2-[[5-(2-methylhydrazinyl)-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]-5-oxopentanamide is sourced from PubChem (CID 143740352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).