N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H18N2O5S2 — CID 3238168

IUPACN-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H18N2O5S2/c20-17(18-13-5-6-14-15(9-13)24-11-23-14)12-3-1-7-19(10-12)26(21,22)16-4-2-8-25-16/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,18,20)
InChIKeyTZOIZYMWENXFCM-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.52
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3238168) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID3238168
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H18N2O5S2/c20-17(18-13-5-6-14-15(9-13)24-11-23-14)12-3-1-7-19(10-12)26(21,22)16-4-2-8-25-16/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,18,20)
InChIKeyTZOIZYMWENXFCM-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 3238168) is N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is TZOIZYMWENXFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c20-17(18-13-5-6-14-15(9-13)24-11-23-14)12-3-1-7-19(10-12)26(21,22)16-4-2-8-25-16/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3238168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).