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

C16H24N2O3S — CID 6462654

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C16H24N2O3S/c1-10-9-11(2)13(4)15(12(10)3)22(20,21)18-7-5-14(6-8-18)16(17)19/h9,14H,5-8H2,1-4H3,(H2,17,19)
InChIKeyCKNBVCYYGWDVSD-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.81
Rot. Bonds3

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

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 6462654) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID6462654
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C16H24N2O3S/c1-10-9-11(2)13(4)15(12(10)3)22(20,21)18-7-5-14(6-8-18)16(17)19/h9,14H,5-8H2,1-4H3,(H2,17,19)
InChIKeyCKNBVCYYGWDVSD-UHFFFAOYSA-N
XLogP1.81
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
2-[3-(4-carbamoylpiperidin-1-yl)sulfonyl-2,4,6-trimethylphenyl]acetic acid
CID 132972294
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409749
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 71830284
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
(4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24667244
N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26131040
N,N-diethyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxamide
CID 34217987

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 6462654) is 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CKNBVCYYGWDVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10-9-11(2)13(4)15(12(10)3)22(20,21)18-7-5-14(6-8-18)16(17)19/h9,14H,5-8H2,1-4H3,(H2,17,19).
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6462654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).