(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide

C14H20N2O4S — CID 8799587

IUPAC(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1C(N)=O
InChIInChI=1S/C14H20N2O4S/c1-10-6-7-12(20-2)13(9-10)21(18,19)16-8-4-3-5-11(16)14(15)17/h6-7,9,11H,3-5,8H2,1-2H3,(H2,15,17)/t11-/m0/s1
InChIKeyXSDSXSBQTGZRSX-NSHDSACASA-N
MW312.39 g/mol
LogP1.03
Rot. Bonds4

About (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide

(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 8799587) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID8799587
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1C(N)=O
InChIInChI=1S/C14H20N2O4S/c1-10-6-7-12(20-2)13(9-10)21(18,19)16-8-4-3-5-11(16)14(15)17/h6-7,9,11H,3-5,8H2,1-2H3,(H2,15,17)/t11-/m0/s1
InChIKeyXSDSXSBQTGZRSX-NSHDSACASA-N
XLogP1.03
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide
CID 39632861
1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258628
1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
CID 81442189
(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 164637277
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
3-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 126809488
methyl 1-(2-amino-4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 61114448
(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 40516561
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 4985773
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide (CID 8799587) is (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is XSDSXSBQTGZRSX-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-6-7-12(20-2)13(9-10)21(18,19)16-8-4-3-5-11(16)14(15)17/h6-7,9,11H,3-5,8H2,1-2H3,(H2,15,17)/t11-/m0/s1.
What are the key properties of (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide?
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 8799587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).