N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide

C10H20N2O2S — CID 160622179

IUPACN-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
SMILESCC(=O)C(N)CCCCNC(=O)CCS
InChIInChI=1S/C10H20N2O2S/c1-8(13)9(11)4-2-3-6-12-10(14)5-7-15/h9,15H,2-7,11H2,1H3,(H,12,14)
InChIKeyRGVPKSNFGYAVQS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.51
Rot. Bonds8

About N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide

N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide (PubChem CID 160622179) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
PubChem CID160622179
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
SMILESCC(=O)C(N)CCCCNC(=O)CCS
InChIInChI=1S/C10H20N2O2S/c1-8(13)9(11)4-2-3-6-12-10(14)5-7-15/h9,15H,2-7,11H2,1H3,(H,12,14)
InChIKeyRGVPKSNFGYAVQS-UHFFFAOYSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide 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

N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
N-[[1-[2-[(5-amino-6-oxoheptyl)amino]-2-oxoethyl]triazol-4-yl]methyl]-3-sulfanylpropanamide
CID 162249494
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
(2S)-6-[[(4S)-4-acetamido-4-carboxybutanoyl]amino]-2-aminohexanoic acid
CID 167256422
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
2,6-bis(3-sulfanylpropanoylamino)hexanoic acid
CID 89167992
(2R)-2-[3-[[(5S,12S)-5,12-diamino-6,13-dioxotetradecyl]amino]-3-oxopropyl]-4-oxohenicosanedioic acid
CID 165024771
(4-amino-5-oxohexyl)urea;ethane
CID 145237808

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide?
The IUPAC name of N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide (CID 160622179) is N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide is CC(=O)C(N)CCCCNC(=O)CCS.
What is the InChIKey of N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide?
The InChIKey is RGVPKSNFGYAVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(13)9(11)4-2-3-6-12-10(14)5-7-15/h9,15H,2-7,11H2,1H3,(H,12,14).
What are the key properties of N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide?
N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide has a molecular weight of 232.35 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide is sourced from PubChem (CID 160622179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).