N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H26N2O3S — CID 963794

IUPACN,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-4-18(5-2)17(20)15-10-12-19(13-11-15)23(21,22)16-8-6-14(3)7-9-16/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyFIGJTEKBNYBWNH-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.26
Rot. Bonds5

About N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 963794) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID963794
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-4-18(5-2)17(20)15-10-12-19(13-11-15)23(21,22)16-8-6-14(3)7-9-16/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyFIGJTEKBNYBWNH-UHFFFAOYSA-N
XLogP2.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 963794) is N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FIGJTEKBNYBWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-18(5-2)17(20)15-10-12-19(13-11-15)23(21,22)16-8-6-14(3)7-9-16/h6-9,15H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 963794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).