N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

C15H20N4OS — CID 17457094

IUPACN-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nccn2C2CC2)CCCCC1
InChIInChI=1S/C15H20N4OS/c16-11-15(6-2-1-3-7-15)18-13(20)10-21-14-17-8-9-19(14)12-4-5-12/h8-9,12H,1-7,10H2,(H,18,20)
InChIKeyVUCMRPUWUMDGSZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (PubChem CID 17457094) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
PubChem CID17457094
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nccn2C2CC2)CCCCC1
InChIInChI=1S/C15H20N4OS/c16-11-15(6-2-1-3-7-15)18-13(20)10-21-14-17-8-9-19(14)12-4-5-12/h8-9,12H,1-7,10H2,(H,18,20)
InChIKeyVUCMRPUWUMDGSZ-UHFFFAOYSA-N
XLogP2.65
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (CID 17457094) is N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is N#CC1(NC(=O)CSc2nccn2C2CC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The InChIKey is VUCMRPUWUMDGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-11-15(6-2-1-3-7-15)18-13(20)10-21-14-17-8-9-19(14)12-4-5-12/h8-9,12H,1-7,10H2,(H,18,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide has a molecular weight of 304.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 17457094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).