N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H22N2O3S2 — CID 39999740

IUPACN-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2csc3c2CCCC3)CC1
InChIInChI=1S/C15H22N2O3S2/c1-22(19,20)17-8-6-11(7-9-17)16-15(18)13-10-21-14-5-3-2-4-12(13)14/h10-11H,2-9H2,1H3,(H,16,18)
InChIKeyOGIJGGGLADIXRW-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.78
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 39999740) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID39999740
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2csc3c2CCCC3)CC1
InChIInChI=1S/C15H22N2O3S2/c1-22(19,20)17-8-6-11(7-9-17)16-15(18)13-10-21-14-5-3-2-4-12(13)14/h10-11H,2-9H2,1H3,(H,16,18)
InChIKeyOGIJGGGLADIXRW-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 39999740) is N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2csc3c2CCCC3)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is OGIJGGGLADIXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-22(19,20)17-8-6-11(7-9-17)16-15(18)13-10-21-14-5-3-2-4-12(13)14/h10-11H,2-9H2,1H3,(H,16,18).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 39999740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).