2-amino-N-cyclohexyl-2-sulfanylacetamide

C8H16N2OS — CID 87171089

IUPAC2-amino-N-cyclohexyl-2-sulfanylacetamide
SMILESNC(S)C(=O)NC1CCCCC1
InChIInChI=1S/C8H16N2OS/c9-7(12)8(11)10-6-4-2-1-3-5-6/h6-7,12H,1-5,9H2,(H,10,11)
InChIKeyUHFNODNGIIELRW-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.65
Rot. Bonds2

About 2-amino-N-cyclohexyl-2-sulfanylacetamide

2-amino-N-cyclohexyl-2-sulfanylacetamide (PubChem CID 87171089) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-2-sulfanylacetamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-2-sulfanylacetamide
PubChem CID87171089
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-amino-N-cyclohexyl-2-sulfanylacetamide
SMILESNC(S)C(=O)NC1CCCCC1
InChIInChI=1S/C8H16N2OS/c9-7(12)8(11)10-6-4-2-1-3-5-6/h6-7,12H,1-5,9H2,(H,10,11)
InChIKeyUHFNODNGIIELRW-UHFFFAOYSA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
2-amino-N-cyclopentyl-2-cyclopropylacetamide
CID 130870089
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
N-cyclohexyl-2-silylpropanamide
CID 123581134
2-chloro-N-cyclohexyl-2-cyclopentylacetamide
CID 62224252
(2R)-2-amino-N-cyclopentyl-3-hydroxy-3-methylbutanamide
CID 67225078
1-cyclobutyl-3-cyclohexylurea
CID 17217147
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-2-sulfanylacetamide?
The IUPAC name of 2-amino-N-cyclohexyl-2-sulfanylacetamide (CID 87171089) is 2-amino-N-cyclohexyl-2-sulfanylacetamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-2-sulfanylacetamide?
The canonical SMILES for 2-amino-N-cyclohexyl-2-sulfanylacetamide is NC(S)C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-2-sulfanylacetamide?
The InChIKey is UHFNODNGIIELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c9-7(12)8(11)10-6-4-2-1-3-5-6/h6-7,12H,1-5,9H2,(H,10,11).
What are the key properties of 2-amino-N-cyclohexyl-2-sulfanylacetamide?
2-amino-N-cyclohexyl-2-sulfanylacetamide has a molecular weight of 188.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-2-sulfanylacetamide is sourced from PubChem (CID 87171089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).