2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide

C11H17N3OS — CID 22585437

IUPAC2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nccn1C1CCCCC1
InChIInChI=1S/C11H17N3OS/c12-10(15)8-16-11-13-6-7-14(11)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,15)
InChIKeyHRALQUDCOMRHOY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.97
Rot. Bonds4

About 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide

2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide (PubChem CID 22585437) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
PubChem CID22585437
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nccn1C1CCCCC1
InChIInChI=1S/C11H17N3OS/c12-10(15)8-16-11-13-6-7-14(11)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,15)
InChIKeyHRALQUDCOMRHOY-UHFFFAOYSA-N
XLogP1.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 47139182
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
2-(5-tert-butyl-1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 11808582
2-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 61221455
1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(1-cyclopropylimidazol-2-yl)sulfanylethanone
CID 94502471
2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid
CID 54955286
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 17454224
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 43038478
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
1-cycloheptylimidazole-2-carboxylic acid
CID 130609991

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide (CID 22585437) is 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide is NC(=O)CSc1nccn1C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
The InChIKey is HRALQUDCOMRHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-10(15)8-16-11-13-6-7-14(11)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,15).
What are the key properties of 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide?
2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 22585437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).