1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide

C16H22N2O5S2 — CID 3637244

IUPAC1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-14-8-10-24(20,21)12-14)13-5-4-9-18(11-13)25(22,23)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2,(H,17,19)
InChIKeyUASUVKWEXXVNLY-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.39
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide (PubChem CID 3637244) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
PubChem CID3637244
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-14-8-10-24(20,21)12-14)13-5-4-9-18(11-13)25(22,23)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2,(H,17,19)
InChIKeyUASUVKWEXXVNLY-UHFFFAOYSA-N
XLogP0.39
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide (CID 3637244) is 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The InChIKey is UASUVKWEXXVNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c19-16(17-14-8-10-24(20,21)12-14)13-5-4-9-18(11-13)25(22,23)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2,(H,17,19).
What are the key properties of 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3637244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).