N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C10H15N3OS — CID 47144441

IUPACN-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCC1CC1
InChIInChI=1S/C10H15N3OS/c1-13-5-4-11-10(13)15-7-9(14)12-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyNDKKOPCDKAPRGY-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.04
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 47144441) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID47144441
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCC1CC1
InChIInChI=1S/C10H15N3OS/c1-13-5-4-11-10(13)15-7-9(14)12-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyNDKKOPCDKAPRGY-UHFFFAOYSA-N
XLogP1.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 61468169
2-(1-methylimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9200933
N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 28699058
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 47144441) is N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is NDKKOPCDKAPRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13-5-4-11-10(13)15-7-9(14)12-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,14).
What are the key properties of N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 225.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 47144441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).