6-amino-N-(4-sulfanylbutyl)hexanamide

C10H22N2OS — CID 162689311

IUPAC6-amino-N-(4-sulfanylbutyl)hexanamide
SMILESNCCCCCC(=O)NCCCCS
InChIInChI=1S/C10H22N2OS/c11-7-3-1-2-6-10(13)12-8-4-5-9-14/h14H,1-9,11H2,(H,12,13)
InChIKeyBUVJUJZIGFZAMS-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.33
Rot. Bonds9

About 6-amino-N-(4-sulfanylbutyl)hexanamide

6-amino-N-(4-sulfanylbutyl)hexanamide (PubChem CID 162689311) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 6-amino-N-(4-sulfanylbutyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(4-sulfanylbutyl)hexanamide
PubChem CID162689311
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name6-amino-N-(4-sulfanylbutyl)hexanamide
SMILESNCCCCCC(=O)NCCCCS
InChIInChI=1S/C10H22N2OS/c11-7-3-1-2-6-10(13)12-8-4-5-9-14/h14H,1-9,11H2,(H,12,13)
InChIKeyBUVJUJZIGFZAMS-UHFFFAOYSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-(4-sulfanylbutyl)hexanamide 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

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-pentyl-11-sulfanylundecanamide
CID 102272005

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-sulfanylbutyl)hexanamide?
The IUPAC name of 6-amino-N-(4-sulfanylbutyl)hexanamide (CID 162689311) is 6-amino-N-(4-sulfanylbutyl)hexanamide.
What is the SMILES notation for 6-amino-N-(4-sulfanylbutyl)hexanamide?
The canonical SMILES for 6-amino-N-(4-sulfanylbutyl)hexanamide is NCCCCCC(=O)NCCCCS.
What is the InChIKey of 6-amino-N-(4-sulfanylbutyl)hexanamide?
The InChIKey is BUVJUJZIGFZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c11-7-3-1-2-6-10(13)12-8-4-5-9-14/h14H,1-9,11H2,(H,12,13).
What are the key properties of 6-amino-N-(4-sulfanylbutyl)hexanamide?
6-amino-N-(4-sulfanylbutyl)hexanamide has a molecular weight of 218.37 g/mol, XLogP of 1.33, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-sulfanylbutyl)hexanamide is sourced from PubChem (CID 162689311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).