N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide

C11H15N3O2S2 — CID 114142525

IUPACN-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H15N3O2S2/c1-8(6-12-2)18(15,16)14-9-3-4-10-11(5-9)17-7-13-10/h3-5,7-8,12,14H,6H2,1-2H3
InChIKeyJNDBBEIWVHWELP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.65
Rot. Bonds5

About N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide

N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 114142525) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
PubChem CID114142525
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H15N3O2S2/c1-8(6-12-2)18(15,16)14-9-3-4-10-11(5-9)17-7-13-10/h3-5,7-8,12,14H,6H2,1-2H3
InChIKeyJNDBBEIWVHWELP-UHFFFAOYSA-N
XLogP1.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
N-(1,3-benzothiazol-6-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107806374
N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 113354920
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
CID 106003246
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 107801209
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
CID 74225339
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
CID 106074537
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide (CID 114142525) is N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is JNDBBEIWVHWELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8(6-12-2)18(15,16)14-9-3-4-10-11(5-9)17-7-13-10/h3-5,7-8,12,14H,6H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide?
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 114142525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).