2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide

C15H18N2O3S2 — CID 97030606

IUPAC2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccccc2c1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1
InChIInChI=1S/C15H18N2O3S2/c1-10-15(12-5-3-4-6-13(12)21-10)22(19,20)16-11-7-8-14(18)17(2)9-11/h3-6,11,16H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyGVSLWJPBWAJASF-LLVKDONJSA-N
MW338.45 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide

2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide (PubChem CID 97030606) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide
PubChem CID97030606
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccccc2c1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1
InChIInChI=1S/C15H18N2O3S2/c1-10-15(12-5-3-4-6-13(12)21-10)22(19,20)16-11-7-8-14(18)17(2)9-11/h3-6,11,16H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyGVSLWJPBWAJASF-LLVKDONJSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide (CID 97030606) is 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide is Cc1sc2ccccc2c1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1.
What is the InChIKey of 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide?
The InChIKey is GVSLWJPBWAJASF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10-15(12-5-3-4-6-13(12)21-10)22(19,20)16-11-7-8-14(18)17(2)9-11/h3-6,11,16H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide?
2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 97030606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).