N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide

C13H21N3OS — CID 122142928

IUPACN-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide
SMILESCC(Sc1ncc[nH]1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-10(18-13-14-8-9-15-13)12(17)16(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyPBEFZPQVPFDUOM-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.68
Rot. Bonds4

About N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide

N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide (PubChem CID 122142928) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide
PubChem CID122142928
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide
SMILESCC(Sc1ncc[nH]1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-10(18-13-14-8-9-15-13)12(17)16(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyPBEFZPQVPFDUOM-UHFFFAOYSA-N
XLogP2.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide
CID 124507045
N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 132760057
(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 52887765
(2S)-N-cyclohexyl-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7908432
(2S)-N-cyclohexyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 135840718
N-cyclohexyl-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 78760597
N-cyclohexyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 46625428
N-cyclohexyl-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 55311486
N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide
CID 75853849
2-(1H-imidazol-2-ylsulfanyl)-3-methylbutanoic acid
CID 107778960
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 135115094

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide (CID 122142928) is N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide is CC(Sc1ncc[nH]1)C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide?
The InChIKey is PBEFZPQVPFDUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(18-13-14-8-9-15-13)12(17)16(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide?
N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide has a molecular weight of 267.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide is sourced from PubChem (CID 122142928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).