1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H26N2O4S — CID 2921149

IUPAC1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-14-4-6-17(7-5-14)25(22,23)20-10-8-15(9-11-20)18(21)19-13-16-3-2-12-24-16/h4-7,15-16H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyWITKSLFKOVIOKX-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.69
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2921149) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2921149
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-14-4-6-17(7-5-14)25(22,23)20-10-8-15(9-11-20)18(21)19-13-16-3-2-12-24-16/h4-7,15-16H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyWITKSLFKOVIOKX-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2921149) is 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WITKSLFKOVIOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-4-6-17(7-5-14)25(22,23)20-10-8-15(9-11-20)18(21)19-13-16-3-2-12-24-16/h4-7,15-16H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2921149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).