N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide

C10H12N2O3S2 — CID 58839440

IUPACN-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
SMILESCOCNS(=O)(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C10H12N2O3S2/c1-7-12-9-4-3-8(5-10(9)16-7)17(13,14)11-6-15-2/h3-5,11H,6H2,1-2H3
InChIKeyGCCUWNOYTHXPAL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds4

About N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide

N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 58839440) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
PubChem CID58839440
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC NameN-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
SMILESCOCNS(=O)(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C10H12N2O3S2/c1-7-12-9-4-3-8(5-10(9)16-7)17(13,14)11-6-15-2/h3-5,11H,6H2,1-2H3
InChIKeyGCCUWNOYTHXPAL-UHFFFAOYSA-N
XLogP1.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150
N-butyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 23603180
N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6624557
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 23603181
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazole-6-sulfonamide
CID 3239139
N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6620438
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
2-methyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1,3-benzothiazole-6-sulfonamide
CID 41246315
2-(4-bromophenyl)-N-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]acetamide
CID 155967365
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 23603157
N-[4-(6-methoxypyridazin-3-yl)phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 7553647

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide (CID 58839440) is N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide is COCNS(=O)(=O)c1ccc2nc(C)sc2c1.
What is the InChIKey of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is GCCUWNOYTHXPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-7-12-9-4-3-8(5-10(9)16-7)17(13,14)11-6-15-2/h3-5,11H,6H2,1-2H3.
What are the key properties of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide?
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 58839440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).