1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C15H22N2O4S — CID 110758335

IUPAC1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N2O4S/c1-10-8-11(2)14(21-3)13(9-10)22(19,20)17-6-4-12(5-7-17)15(16)18/h8-9,12H,4-7H2,1-3H3,(H2,16,18)
InChIKeyQKAIOZIPXRPYKJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 110758335) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID110758335
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N2O4S/c1-10-8-11(2)14(21-3)13(9-10)22(19,20)17-6-4-12(5-7-17)15(16)18/h8-9,12H,4-7H2,1-3H3,(H2,16,18)
InChIKeyQKAIOZIPXRPYKJ-UHFFFAOYSA-N
XLogP1.20
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120998743
1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
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1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
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CID 15944020

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 110758335) is 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is COc1c(C)cc(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QKAIOZIPXRPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-8-11(2)14(21-3)13(9-10)22(19,20)17-6-4-12(5-7-17)15(16)18/h8-9,12H,4-7H2,1-3H3,(H2,16,18).
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110758335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).