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

C18H26N2O5S2 — CID 18573640

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S2/c1-2-20(16-9-12-26(22,23)14-16)18(21)15-7-6-8-17(13-15)27(24,25)19-10-4-3-5-11-19/h6-8,13,16H,2-5,9-12,14H2,1H3
InChIKeyICVXCSAOLJCADL-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.51
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18573640) has the molecular formula C18H26N2O5S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18573640
Molecular FormulaC18H26N2O5S2
Molecular Weight414.55 g/mol
Exact Mass414.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S2/c1-2-20(16-9-12-26(22,23)14-16)18(21)15-7-6-8-17(13-15)27(24,25)19-10-4-3-5-11-19/h6-8,13,16H,2-5,9-12,14H2,1H3
InChIKeyICVXCSAOLJCADL-UHFFFAOYSA-N
XLogP1.51
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide (CID 18573640) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide is CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ICVXCSAOLJCADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S2/c1-2-20(16-9-12-26(22,23)14-16)18(21)15-7-6-8-17(13-15)27(24,25)19-10-4-3-5-11-19/h6-8,13,16H,2-5,9-12,14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 414.55 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18573640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).