2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide

C11H20N2OS — CID 103950288

IUPAC2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
SMILESC#CCSCCNC(=O)C(N)CCCC
InChIInChI=1S/C11H20N2OS/c1-3-5-6-10(12)11(14)13-7-9-15-8-4-2/h2,10H,3,5-9,12H2,1H3,(H,13,14)
InChIKeyYOXAFICOROMZLI-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.99
Rot. Bonds8

About 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide

2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide (PubChem CID 103950288) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
PubChem CID103950288
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
SMILESC#CCSCCNC(=O)C(N)CCCC
InChIInChI=1S/C11H20N2OS/c1-3-5-6-10(12)11(14)13-7-9-15-8-4-2/h2,10H,3,5-9,12H2,1H3,(H,13,14)
InChIKeyYOXAFICOROMZLI-UHFFFAOYSA-N
XLogP0.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-prop-2-ynylsulfanylethyl)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

(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427976
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427911
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2R)-2-amino-N-butylpentanamide
CID 82668431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide?
The IUPAC name of 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide (CID 103950288) is 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide.
What is the SMILES notation for 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide?
The canonical SMILES for 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide is C#CCSCCNC(=O)C(N)CCCC.
What is the InChIKey of 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide?
The InChIKey is YOXAFICOROMZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-5-6-10(12)11(14)13-7-9-15-8-4-2/h2,10H,3,5-9,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide?
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide has a molecular weight of 228.36 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide is sourced from PubChem (CID 103950288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).