N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

C13H14N2O4S2 — CID 2931603

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)C3CCCO3)sc2c1
InChIInChI=1S/C13H14N2O4S2/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyPWIPRTPUVVZUBK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.82
Rot. Bonds3

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (PubChem CID 2931603) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
PubChem CID2931603
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)C3CCCO3)sc2c1
InChIInChI=1S/C13H14N2O4S2/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyPWIPRTPUVVZUBK-UHFFFAOYSA-N
XLogP1.82
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (CID 2931603) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCO3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is PWIPRTPUVVZUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15,16).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2931603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).