N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide

C16H22N2O5S2 — CID 2945957

IUPACN-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-14-8-11-24(20,21)12-14)13-4-6-15(7-5-13)25(22,23)18-9-2-1-3-10-18/h4-7,14H,1-3,8-12H2,(H,17,19)
InChIKeyRCJBIZWBMDWICZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.78
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2945957) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2945957
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-14-8-11-24(20,21)12-14)13-4-6-15(7-5-13)25(22,23)18-9-2-1-3-10-18/h4-7,14H,1-3,8-12H2,(H,17,19)
InChIKeyRCJBIZWBMDWICZ-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 2945957) is N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RCJBIZWBMDWICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c19-16(17-14-8-11-24(20,21)12-14)13-4-6-15(7-5-13)25(22,23)18-9-2-1-3-10-18/h4-7,14H,1-3,8-12H2,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2945957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).