4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide

C14H24N4OS — CID 71800890

IUPAC4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C14H24N4OS/c1-11(2)16-13(19)18-7-4-12(5-8-18)10-20-14-15-6-9-17(14)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,16,19)
InChIKeyWMDXSQOYNRTJRH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds4

About 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71800890) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID71800890
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C14H24N4OS/c1-11(2)16-13(19)18-7-4-12(5-8-18)10-20-14-15-6-9-17(14)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,16,19)
InChIKeyWMDXSQOYNRTJRH-UHFFFAOYSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide;hydrochloride
CID 6603260
N-cyclohexyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2997769
N-(2,3-dimethylcyclohexyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2999050
N-isopropyl-4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide
CID 72866493
(3R,4S)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-ium
CID 164673828
1-(2,6-Dimethylpiperidin-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 4548905
N-cyclohexyl-2-((1-cyclopentyl-1H-imidazol-2-yl)thio)acetamide
CID 40691855
N-isopropyl-4-((2-methyl-1H-imidazol-1-yl)methyl)piperidine-1-carboxamide
CID 71781144
cyclobutyl(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)methanone
CID 71800874
N,N-dimethyl-4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidine-1-sulfonamide
CID 71800896
(3S,4R)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
CID 169128313

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 71800890) is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(CSc2nccn2C)CC1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is WMDXSQOYNRTJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11(2)16-13(19)18-7-4-12(5-8-18)10-20-14-15-6-9-17(14)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71800890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).