1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

C19H30N2O3S — CID 47090101

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC(C)C(C)C)CC2)c1
InChIInChI=1S/C19H30N2O3S/c1-13(2)16(5)20-19(22)17-8-10-21(11-9-17)25(23,24)18-12-14(3)6-7-15(18)4/h6-7,12-13,16-17H,8-11H2,1-5H3,(H,20,22)
InChIKeyJSDMKEXGEOJDBB-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.86
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 47090101) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID47090101
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC(C)C(C)C)CC2)c1
InChIInChI=1S/C19H30N2O3S/c1-13(2)16(5)20-19(22)17-8-10-21(11-9-17)25(23,24)18-12-14(3)6-7-15(18)4/h6-7,12-13,16-17H,8-11H2,1-5H3,(H,20,22)
InChIKeyJSDMKEXGEOJDBB-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (CID 47090101) is 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC(C)C(C)C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is JSDMKEXGEOJDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-13(2)16(5)20-19(22)17-8-10-21(11-9-17)25(23,24)18-12-14(3)6-7-15(18)4/h6-7,12-13,16-17H,8-11H2,1-5H3,(H,20,22).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47090101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).