2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide

C15H22N2OS — CID 23970461

IUPAC2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SC2CCCCC2)nc1
InChIInChI=1S/C15H22N2OS/c1-11-8-9-14(16-10-11)17-15(18)12(2)19-13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyTWSZUMAQILVCFX-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.78
Rot. Bonds4

About 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide

2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 23970461) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID23970461
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SC2CCCCC2)nc1
InChIInChI=1S/C15H22N2OS/c1-11-8-9-14(16-10-11)17-15(18)12(2)19-13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyTWSZUMAQILVCFX-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
(2S)-N-(5-methyl-2-pyridinyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 40952784
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 42891852
1-(2-cyclohexylsulfanylethyl)-3-(5-methyl-2-pyridinyl)thiourea
CID 100603150
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide (CID 23970461) is 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)C(C)SC2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is TWSZUMAQILVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-8-9-14(16-10-11)17-15(18)12(2)19-13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide?
2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 278.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23970461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).