N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C21H32N2O3S — CID 1090889

IUPACN-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-15-13-16(2)20(17(3)14-15)27(25,26)23-11-9-18(10-12-23)21(24)22-19-7-5-4-6-8-19/h13-14,18-19H,4-12H2,1-3H3,(H,22,24)
InChIKeyKUTKORANXMOMMT-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.46
Rot. Bonds4

About N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1090889) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1090889
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-15-13-16(2)20(17(3)14-15)27(25,26)23-11-9-18(10-12-23)21(24)22-19-7-5-4-6-8-19/h13-14,18-19H,4-12H2,1-3H3,(H,22,24)
InChIKeyKUTKORANXMOMMT-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 1090889) is N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KUTKORANXMOMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-15-13-16(2)20(17(3)14-15)27(25,26)23-11-9-18(10-12-23)21(24)22-19-7-5-4-6-8-19/h13-14,18-19H,4-12H2,1-3H3,(H,22,24).
What are the key properties of N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1090889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).