(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide

C15H22N2O4S — CID 33249875

IUPAC(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCOc1ccccc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)17-11-6-5-9-14(17)15(18)16-10-12-21-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyUIQHDHJGXJODKI-AWEZNQCLSA-N
MW326.42 g/mol
LogP1.00
Rot. Bonds6

About (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide

(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide (PubChem CID 33249875) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
PubChem CID33249875
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCOc1ccccc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)17-11-6-5-9-14(17)15(18)16-10-12-21-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyUIQHDHJGXJODKI-AWEZNQCLSA-N
XLogP1.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 35097802
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
4-[4-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247130
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
2-[4-[2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255649
N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide
CID 24663164
3-[2-[[(2R)-1-methylazepane-2-carbonyl]amino]ethoxy]benzoic acid
CID 124755901
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide (CID 33249875) is (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide is CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCOc1ccccc1.
What is the InChIKey of (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide?
The InChIKey is UIQHDHJGXJODKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)17-11-6-5-9-14(17)15(18)16-10-12-21-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide?
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide is sourced from PubChem (CID 33249875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).