(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide

C15H22N2O2S — CID 97317437

IUPAC(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)NCC[S@](=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2S/c1-13-6-5-10-17(12-13)15(18)16-9-11-20(19)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-,20+/m1/s1
InChIKeyWQCOMJAPQPUSMM-XCLFUZPHSA-N
MW294.42 g/mol
LogP2.24
Rot. Bonds4

About (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide

(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide (PubChem CID 97317437) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide
PubChem CID97317437
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)NCC[S@](=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2S/c1-13-6-5-10-17(12-13)15(18)16-9-11-20(19)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-,20+/m1/s1
InChIKeyWQCOMJAPQPUSMM-XCLFUZPHSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide
CID 97016345
(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 124625875
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
1-(2-benzylsulfinylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122002690
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methylpiperidine-1-carboxamide
CID 79158396
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
N-[2-(benzenesulfonyl)ethyl]-4-methylazepane-1-carboxamide
CID 86864238
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide (CID 97317437) is (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)NCC[S@](=O)c2ccccc2)C1.
What is the InChIKey of (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide?
The InChIKey is WQCOMJAPQPUSMM-XCLFUZPHSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13-6-5-10-17(12-13)15(18)16-9-11-20(19)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-,20+/m1/s1.
What are the key properties of (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide?
(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97317437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).