N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide

C9H13N3OS — CID 71995545

IUPACN-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
SMILESCN(C(=O)CSc1ncc[nH]1)C1CC1
InChIInChI=1S/C9H13N3OS/c1-12(7-2-3-7)8(13)6-14-9-10-4-5-11-9/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyYBPAIYXMWJFCQS-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.12
Rot. Bonds4

About N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide

N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide (PubChem CID 71995545) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
PubChem CID71995545
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
SMILESCN(C(=O)CSc1ncc[nH]1)C1CC1
InChIInChI=1S/C9H13N3OS/c1-12(7-2-3-7)8(13)6-14-9-10-4-5-11-9/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyYBPAIYXMWJFCQS-UHFFFAOYSA-N
XLogP1.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide (CID 71995545) is N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide is CN(C(=O)CSc1ncc[nH]1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
The InChIKey is YBPAIYXMWJFCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12(7-2-3-7)8(13)6-14-9-10-4-5-11-9/h4-5,7H,2-3,6H2,1H3,(H,10,11).
What are the key properties of N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide has a molecular weight of 211.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide is sourced from PubChem (CID 71995545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).