(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide

C16H24N2O4S — CID 94625034

IUPAC(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](COc1ccccc1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O4S/c1-13(12-22-15-8-4-3-5-9-15)17-16(19)14-7-6-10-18(11-14)23(2,20)21/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeySYSKPSGNZJTHRL-KBPBESRZSA-N
MW340.44 g/mol
LogP1.24
Rot. Bonds6

About (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide (PubChem CID 94625034) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
PubChem CID94625034
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
SMILESC[C@@H](COc1ccccc1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O4S/c1-13(12-22-15-8-4-3-5-9-15)17-16(19)14-7-6-10-18(11-14)23(2,20)21/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeySYSKPSGNZJTHRL-KBPBESRZSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100658335
(3R)-1-(benzenesulfonyl)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99254445
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666449
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675994
(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 95194832
(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94022233
(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 95880412
1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 133189587

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide (CID 94625034) is (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide is C[C@@H](COc1ccccc1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide?
The InChIKey is SYSKPSGNZJTHRL-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13(12-22-15-8-4-3-5-9-15)17-16(19)14-7-6-10-18(11-14)23(2,20)21/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94625034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).