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

C12H24N6O4S2 — CID 25104447

IUPACN-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide
SMILESNNC(=O)CCNC(=O)CCSSCCC(=O)NCCC(=O)NN
InChIInChI=1S/C12H24N6O4S2/c13-17-11(21)1-5-15-9(19)3-7-23-24-8-4-10(20)16-6-2-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeySFCARIHLJDSWGN-UHFFFAOYSA-N
MW380.50 g/mol
LogP-1.86
Rot. Bonds13

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

N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide (PubChem CID 25104447) has the molecular formula C12H24N6O4S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide
PubChem CID25104447
Molecular FormulaC12H24N6O4S2
Molecular Weight380.50 g/mol
Exact Mass380.13
IUPAC NameN-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide
SMILESNNC(=O)CCNC(=O)CCSSCCC(=O)NCCC(=O)NN
InChIInChI=1S/C12H24N6O4S2/c13-17-11(21)1-5-15-9(19)3-7-23-24-8-4-10(20)16-6-2-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeySFCARIHLJDSWGN-UHFFFAOYSA-N
XLogP-1.86
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 5-1.86
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'}

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

4-hydrazinyl-N-[2-[2-[(4-hydrazinyl-4-oxobutanoyl)amino]ethyldisulfanyl]ethyl]-4-oxobutanamide
CID 25104329
5-hydrazinyl-N-[2-[2-[(5-hydrazinyl-5-oxopentanoyl)amino]ethyldisulfanyl]ethyl]-5-oxopentanamide
CID 25104331
N-(2-hydrazinyl-2-oxoethyl)-3-[[3-[(2-hydrazinyl-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104333
N-(1-hydrazinyl-1-oxopropan-2-yl)-3-[[3-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104334
N-(4-hydrazinyl-4-oxobutyl)-3-[[3-[(4-hydrazinyl-4-oxobutyl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 25104448
3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide
CID 25196764
N-(3-hydrazinyl-3-oxopropyl)-3-(3-oxobutyldisulfanyl)propanamide
CID 59203679
N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide
CID 59364570
N-(2-hydrazinyl-2-oxoethyl)-4-[[4-[(2-hydrazinyl-2-oxoethyl)amino]-4-oxobutyl]disulfanyl]butanamide
CID 59364583
N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
CID 87145279
3-[2-[3-Amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-ethylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide
CID 87845320
3-[2-[3-Amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide
CID 87846748

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide (CID 25104447) is N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide is NNC(=O)CCNC(=O)CCSSCCC(=O)NCCC(=O)NN.
What is the InChIKey of N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is SFCARIHLJDSWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O4S2/c13-17-11(21)1-5-15-9(19)3-7-23-24-8-4-10(20)16-6-2-12(22)18-14/h1-8,13-14H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22).
What are the key properties of N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide?
N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 380.50 g/mol, XLogP of -1.86, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxopropyl)-3-[[3-[(3-hydrazinyl-3-oxopropyl)amino]-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 25104447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).