N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide

C16H22N2O4S — CID 3155133

IUPACN-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCO1
InChIInChI=1S/C16H22N2O4S/c19-16(15-5-4-12-22-15)17-13-6-8-14(9-7-13)23(20,21)18-10-2-1-3-11-18/h6-9,15H,1-5,10-12H2,(H,17,19)
InChIKeyPWPJQHIJLAWVBT-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.98
Rot. Bonds4

About N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide

N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide (PubChem CID 3155133) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
PubChem CID3155133
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCO1
InChIInChI=1S/C16H22N2O4S/c19-16(15-5-4-12-22-15)17-13-6-8-14(9-7-13)23(20,21)18-10-2-1-3-11-18/h6-9,15H,1-5,10-12H2,(H,17,19)
InChIKeyPWPJQHIJLAWVBT-UHFFFAOYSA-N
XLogP1.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide (CID 3155133) is N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCO1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide?
The InChIKey is PWPJQHIJLAWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-16(15-5-4-12-22-15)17-13-6-8-14(9-7-13)23(20,21)18-10-2-1-3-11-18/h6-9,15H,1-5,10-12H2,(H,17,19).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 3155133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).