N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide

C12H19N3OS — CID 51320066

IUPACN-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCn1ccnc1SCC(=O)NC(C)C1CC1
InChIInChI=1S/C12H19N3OS/c1-3-15-7-6-13-12(15)17-8-11(16)14-9(2)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyGKNLVGPMVYEZSY-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.91
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide

N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide (PubChem CID 51320066) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
PubChem CID51320066
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCn1ccnc1SCC(=O)NC(C)C1CC1
InChIInChI=1S/C12H19N3OS/c1-3-15-7-6-13-12(15)17-8-11(16)14-9(2)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyGKNLVGPMVYEZSY-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791045
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791044
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
N-[(1S)-1-cyclopropylethyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8883706
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 17459407
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 18085661
N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47477183
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30942831
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
CID 42254906

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide (CID 51320066) is N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide is CCn1ccnc1SCC(=O)NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The InChIKey is GKNLVGPMVYEZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-15-7-6-13-12(15)17-8-11(16)14-9(2)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 51320066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).