6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine

C10H12N2O2S2 — CID 82549906

IUPAC6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
SMILESCC(C)S(=O)(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C10H12N2O2S2/c1-6(2)16(13,14)7-3-4-8-9(5-7)15-10(11)12-8/h3-6H,1-2H3,(H2,11,12)
InChIKeySUGDVJYZQNCAKZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.06
Rot. Bonds2

About 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine

6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine (PubChem CID 82549906) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
PubChem CID82549906
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
SMILESCC(C)S(=O)(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C10H12N2O2S2/c1-6(2)16(13,14)7-3-4-8-9(5-7)15-10(11)12-8/h3-6H,1-2H3,(H2,11,12)
InChIKeySUGDVJYZQNCAKZ-UHFFFAOYSA-N
XLogP2.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549051
2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 91679872
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
CID 158604119
CID 158604119
N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
CID 163173457
[3-(dimethylamino)phenyl] 2-amino-1,3-benzothiazole-6-sulfonate
CID 21455596
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
(3S)-1-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]pyrrolidin-3-ol
CID 146346248
6-(benzenesulfonylmethyl)-1,3-benzothiazol-2-amine
CID 20983952

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine (CID 82549906) is 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine is CC(C)S(=O)(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
The InChIKey is SUGDVJYZQNCAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-6(2)16(13,14)7-3-4-8-9(5-7)15-10(11)12-8/h3-6H,1-2H3,(H2,11,12).
What are the key properties of 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).