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

C11H17N3OS — CID 6460530

IUPACN-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C11H17N3OS/c1-14-7-6-12-11(14)16-8-10(15)13-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,13,15)
InChIKeyAPQCBHKKKJWWME-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.57
Rot. Bonds4

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

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 6460530) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID6460530
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C11H17N3OS/c1-14-7-6-12-11(14)16-8-10(15)13-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,13,15)
InChIKeyAPQCBHKKKJWWME-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 6460530) is N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is APQCBHKKKJWWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14-7-6-12-11(14)16-8-10(15)13-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,13,15).
What are the key properties of N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 6460530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).