(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide

C17H24N2O2S — CID 25291677

IUPAC(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(C(=O)NC(C)C)C1
InChIInChI=1S/C17H24N2O2S/c1-12(2)18-17(21)19-10-6-7-13(11-19)16(20)14-8-4-5-9-15(14)22-3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyBPVZURQQLIRNTC-ZDUSSCGKSA-N
MW320.46 g/mol
LogP3.42
Rot. Bonds4

About (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide

(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 25291677) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID25291677
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(C(=O)NC(C)C)C1
InChIInChI=1S/C17H24N2O2S/c1-12(2)18-17(21)19-10-6-7-13(11-19)16(20)14-8-4-5-9-15(14)22-3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyBPVZURQQLIRNTC-ZDUSSCGKSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42363244
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 25368531
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774
1-(2-methylsulfanylbenzoyl)piperidine-3-carbothioamide
CID 79215136
[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45203079
(2-methylsulfanylphenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 45200802
cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
3-(4-methoxyphenyl)-1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one
CID 45167786
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
ethyl (3R)-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate
CID 81338642

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide (CID 25291677) is (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide is CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)NC(C)C)C1.
What is the InChIKey of (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is BPVZURQQLIRNTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12(2)18-17(21)19-10-6-7-13(11-19)16(20)14-8-4-5-9-15(14)22-3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide?
(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 25291677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).