N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide

C14H28N6O4S2 — CID 25104448

IUPACN-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
SMILESNNC(=O)CCCNC(=O)CCSSCCC(=O)NCCCC(=O)NN
InChIInChI=1S/C14H28N6O4S2/c15-19-13(23)3-1-7-17-11(21)5-9-25-26-10-6-12(22)18-8-2-4-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKeyRSPKAPJXLWRGQY-UHFFFAOYSA-N
MW408.55 g/mol
LogP-1.08
Rot. Bonds15

About N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide

N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide (PubChem CID 25104448) has the molecular formula C14H28N6O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
PubChem CID25104448
Molecular FormulaC14H28N6O4S2
Molecular Weight408.55 g/mol
Exact Mass408.16
IUPAC NameN-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
SMILESNNC(=O)CCCNC(=O)CCSSCCC(=O)NCCCC(=O)NN
InChIInChI=1S/C14H28N6O4S2/c15-19-13(23)3-1-7-17-11(21)5-9-25-26-10-6-12(22)18-8-2-4-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKeyRSPKAPJXLWRGQY-UHFFFAOYSA-N
XLogP-1.08
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 5-1.08
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

4-amino-N-[2-[2-(4-aminobutanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 59813
4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
CID 25104329
4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-3-methyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-3-methyl-4-oxobutanamide
CID 25104330
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-(2-hydrazinyl-2-oxoethyl)-3-[[3-[(2-hydrazinyl-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104333
N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104447
3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide
CID 25196764
4-amino-N-[3-[3-(4-aminobutanoylamino)propyldisulfanyl]propyl]butanamide
CID 54554617
N-[4-[2-(4-acetamidobutanoyl)hydrazinyl]-4-oxobutyl]butanamide
CID 56606505
4-oxo-N-[2-oxo-2-[2-(3-sulfanylpropanoyl)hydrazinyl]ethyl]-4-[2-(3-sulfanylpropanoyl)hydrazinyl]butanamide
CID 58003282
4-[2-[2-(butanoylamino)acetyl]hydrazinyl]-4-oxo-N-(2-sulfanylethyl)butanamide
CID 58003284

Frequently Asked Questions

What is the IUPAC name of N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide (CID 25104448) is N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide is NNC(=O)CCCNC(=O)CCSSCCC(=O)NCCCC(=O)NN.
What is the InChIKey of N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is RSPKAPJXLWRGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O4S2/c15-19-13(23)3-1-7-17-11(21)5-9-25-26-10-6-12(22)18-8-2-4-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide?
N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 408.55 g/mol, XLogP of -1.08, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 25104448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).