N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine

C11H14N2O2S2 — CID 113354920

IUPACN-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
SMILESCC(CS(C)(=O)=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H14N2O2S2/c1-8(6-17(2,14)15)13-9-3-4-10-11(5-9)16-7-12-10/h3-5,7-8,13H,6H2,1-2H3
InChIKeyOIEXXJRAROUFRI-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.14
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine

N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine (PubChem CID 113354920) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
PubChem CID113354920
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
SMILESCC(CS(C)(=O)=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H14N2O2S2/c1-8(6-17(2,14)15)13-9-3-4-10-11(5-9)16-7-12-10/h3-5,7-8,13H,6H2,1-2H3
InChIKeyOIEXXJRAROUFRI-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
CID 114142525
2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
N-(1,3-benzothiazol-6-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107806374
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
CID 115929163
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine (CID 113354920) is N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine is CC(CS(C)(=O)=O)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
The InChIKey is OIEXXJRAROUFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-8(6-17(2,14)15)13-9-3-4-10-11(5-9)16-7-12-10/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine has a molecular weight of 270.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 113354920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).