N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H26N2O3S — CID 3151607

IUPACN-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-4-14(3)18-17(20)15-9-11-19(12-10-15)23(21,22)16-7-5-13(2)6-8-16/h5-8,14-15H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyIKSAGSJLIPEQJV-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.31
Rot. Bonds5

About N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3151607) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3151607
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-4-14(3)18-17(20)15-9-11-19(12-10-15)23(21,22)16-7-5-13(2)6-8-16/h5-8,14-15H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyIKSAGSJLIPEQJV-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 3151607) is N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IKSAGSJLIPEQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-14(3)18-17(20)15-9-11-19(12-10-15)23(21,22)16-7-5-13(2)6-8-16/h5-8,14-15H,4,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3151607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).