2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide

C11H12N2O3S2 — CID 91193579

IUPAC2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1ccc2ncsc2c1
InChIInChI=1S/C11H12N2O3S2/c1-11(2,10(12)14)18(15,16)7-3-4-8-9(5-7)17-6-13-8/h3-6H,1-2H3,(H2,12,14)
InChIKeyJTCUOZPKGRCJFR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.33
Rot. Bonds3

About 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide

2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide (PubChem CID 91193579) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide
PubChem CID91193579
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)S(=O)(=O)c1ccc2ncsc2c1
InChIInChI=1S/C11H12N2O3S2/c1-11(2,10(12)14)18(15,16)7-3-4-8-9(5-7)17-6-13-8/h3-6H,1-2H3,(H2,12,14)
InChIKeyJTCUOZPKGRCJFR-UHFFFAOYSA-N
XLogP1.33
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
CID 74225339
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
(3S,4S)-1-(1,3-benzothiazol-6-ylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103834
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
CID 114142525
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
3-(1,3-benzothiazol-6-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 114002723
2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol
CID 117296528
[(2R)-1-amino-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 2596852
1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120778982
1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride
CID 68842404

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide?
The IUPAC name of 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide (CID 91193579) is 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide.
What is the SMILES notation for 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide?
The canonical SMILES for 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide is CC(C)(C(N)=O)S(=O)(=O)c1ccc2ncsc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide?
The InChIKey is JTCUOZPKGRCJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-11(2,10(12)14)18(15,16)7-3-4-8-9(5-7)17-6-13-8/h3-6H,1-2H3,(H2,12,14).
What are the key properties of 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide?
2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-ylsulfonyl)-2-methylpropanamide is sourced from PubChem (CID 91193579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).