N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C17H24N2O5S2 — CID 18573634

IUPACN-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCS(=O)(=O)C3)cc2)CC1
InChIInChI=1S/C17H24N2O5S2/c1-13-6-9-19(10-7-13)26(23,24)16-4-2-14(3-5-16)17(20)18-15-8-11-25(21,22)12-15/h2-5,13,15H,6-12H2,1H3,(H,18,20)
InChIKeyUADOXRUSVGLDPB-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.02
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 18573634) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID18573634
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCS(=O)(=O)C3)cc2)CC1
InChIInChI=1S/C17H24N2O5S2/c1-13-6-9-19(10-7-13)26(23,24)16-4-2-14(3-5-16)17(20)18-15-8-11-25(21,22)12-15/h2-5,13,15H,6-12H2,1H3,(H,18,20)
InChIKeyUADOXRUSVGLDPB-UHFFFAOYSA-N
XLogP1.02
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.02
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-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 18573634) is N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCS(=O)(=O)C3)cc2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is UADOXRUSVGLDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-13-6-9-19(10-7-13)26(23,24)16-4-2-14(3-5-16)17(20)18-15-8-11-25(21,22)12-15/h2-5,13,15H,6-12H2,1H3,(H,18,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(1,1-dioxothiolan-3-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 1.02, 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-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 18573634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).