1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide

C17H26N2O3S — CID 3559679

IUPAC1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C17H26N2O3S/c1-10-11(2)13(4)16(14(5)12(10)3)23(21,22)19-8-6-15(7-9-19)17(18)20/h15H,6-9H2,1-5H3,(H2,18,20)
InChIKeyJYKROOUOMCOBNB-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.11
Rot. Bonds3

About 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide

1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3559679) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3559679
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C17H26N2O3S/c1-10-11(2)13(4)16(14(5)12(10)3)23(21,22)19-8-6-15(7-9-19)17(18)20/h15H,6-9H2,1-5H3,(H2,18,20)
InChIKeyJYKROOUOMCOBNB-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid
CID 132972294
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
4-carbamoylpiperidine-1-sulfonyl chloride
CID 16786397
1-(2-amino-4,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 43256211
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061807
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide (CID 3559679) is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JYKROOUOMCOBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-10-11(2)13(4)16(14(5)12(10)3)23(21,22)19-8-6-15(7-9-19)17(18)20/h15H,6-9H2,1-5H3,(H2,18,20).
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3559679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).