N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide

C10H14N2O3S2 — CID 2939591

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCC1(C)CC(=O)c2sc(NS(C)(=O)=O)nc2C1
InChIInChI=1S/C10H14N2O3S2/c1-10(2)4-6-8(7(13)5-10)16-9(11-6)12-17(3,14)15/h4-5H2,1-3H3,(H,11,12)
InChIKeyMUTMQEQFNNVBAB-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.67
Rot. Bonds2

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide (PubChem CID 2939591) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide
PubChem CID2939591
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCC1(C)CC(=O)c2sc(NS(C)(=O)=O)nc2C1
InChIInChI=1S/C10H14N2O3S2/c1-10(2)4-6-8(7(13)5-10)16-9(11-6)12-17(3,14)15/h4-5H2,1-3H3,(H,11,12)
InChIKeyMUTMQEQFNNVBAB-UHFFFAOYSA-N
XLogP1.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide (CID 2939591) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide is CC1(C)CC(=O)c2sc(NS(C)(=O)=O)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide?
The InChIKey is MUTMQEQFNNVBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-10(2)4-6-8(7(13)5-10)16-9(11-6)12-17(3,14)15/h4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide has a molecular weight of 274.37 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 2939591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).