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

C9H13N3OS — CID 4178854

IUPACN-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC1CC1
InChIInChI=1S/C9H13N3OS/c1-12-5-4-10-9(12)14-6-8(13)11-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,11,13)
InChIKeyKSFDBDJZRYOSHZ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.79
Rot. Bonds4

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

N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 4178854) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID4178854
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC1CC1
InChIInChI=1S/C9H13N3OS/c1-12-5-4-10-9(12)14-6-8(13)11-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,11,13)
InChIKeyKSFDBDJZRYOSHZ-UHFFFAOYSA-N
XLogP0.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 4178854) is N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is KSFDBDJZRYOSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12-5-4-10-9(12)14-6-8(13)11-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,11,13).
What are the key properties of N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 211.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4178854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).