1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C17H24N2O4S — CID 2972705

IUPAC1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O4S/c20-17(18-12-15-7-5-11-23-15)14-6-4-10-19(13-14)24(21,22)16-8-2-1-3-9-16/h1-3,8-9,14-15H,4-7,10-13H2,(H,18,20)
InChIKeyPDMVRESIYDRCBO-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.38
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2972705) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2972705
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O4S/c20-17(18-12-15-7-5-11-23-15)14-6-4-10-19(13-14)24(21,22)16-8-2-1-3-9-16/h1-3,8-9,14-15H,4-7,10-13H2,(H,18,20)
InChIKeyPDMVRESIYDRCBO-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 2972705) is 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PDMVRESIYDRCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(18-12-15-7-5-11-23-15)14-6-4-10-19(13-14)24(21,22)16-8-2-1-3-9-16/h1-3,8-9,14-15H,4-7,10-13H2,(H,18,20).
What are the key properties of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2972705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).