6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride

C8H9ClN2O2S2 — CID 53433226

IUPAC6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc2nc(N)sc2c1.Cl
InChIInChI=1S/C8H8N2O2S2.ClH/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6;/h2-4H,1H3,(H2,9,10);1H
InChIKeyNEFLOLQJTNYDEZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.70
Rot. Bonds1

About 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride

6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride (PubChem CID 53433226) has the molecular formula C8H9ClN2O2S2 and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
PubChem CID53433226
Molecular FormulaC8H9ClN2O2S2
Molecular Weight264.76 g/mol
Exact Mass263.98
IUPAC Name6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc2nc(N)sc2c1.Cl
InChIInChI=1S/C8H8N2O2S2.ClH/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6;/h2-4H,1H3,(H2,9,10);1H
InChIKeyNEFLOLQJTNYDEZ-UHFFFAOYSA-N
XLogP1.70
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906
5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18709294
2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 91679872
3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106904
2-(4-methylsulfonylphenyl)-1,3-benzothiazol-6-amine
CID 66203444
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
CID 158604119
CID 158604119
N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
CID 163173457
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
[3-(dimethylamino)phenyl] 2-amino-1,3-benzothiazole-6-sulfonate
CID 21455596
2-(4-methylsulfonylphenyl)sulfanyl-1,3-benzothiazol-6-amine
CID 63237947

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride?
The IUPAC name of 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride (CID 53433226) is 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride.
What is the SMILES notation for 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride?
The canonical SMILES for 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride is CS(=O)(=O)c1ccc2nc(N)sc2c1.Cl.
What is the InChIKey of 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride?
The InChIKey is NEFLOLQJTNYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2.ClH/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6;/h2-4H,1H3,(H2,9,10);1H.
What are the key properties of 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride?
6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride is sourced from PubChem (CID 53433226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).