3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide

C9H13N3OS — CID 47139182

IUPAC3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
SMILESNC(=O)CCSc1nccn1C1CC1
InChIInChI=1S/C9H13N3OS/c10-8(13)3-6-14-9-11-4-5-12(9)7-1-2-7/h4-5,7H,1-3,6H2,(H2,10,13)
InChIKeyFCIRKHOLLCVQDR-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.19
Rot. Bonds5

About 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide

3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide (PubChem CID 47139182) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
PubChem CID47139182
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
SMILESNC(=O)CCSc1nccn1C1CC1
InChIInChI=1S/C9H13N3OS/c10-8(13)3-6-14-9-11-4-5-12(9)7-1-2-7/h4-5,7H,1-3,6H2,(H2,10,13)
InChIKeyFCIRKHOLLCVQDR-UHFFFAOYSA-N
XLogP1.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-cyclopropylimidazol-2-yl)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

2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 43038478
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 18149523
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 17454224
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
ethyl 4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16587940
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679
N-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485
2-(1-cyclopropylimidazol-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 42257652
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide (CID 47139182) is 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide is NC(=O)CCSc1nccn1C1CC1.
What is the InChIKey of 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is FCIRKHOLLCVQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-8(13)3-6-14-9-11-4-5-12(9)7-1-2-7/h4-5,7H,1-3,6H2,(H2,10,13).
What are the key properties of 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 211.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 47139182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).