2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide

C10H13N3O2S2 — CID 106337620

IUPAC2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1snc2ccccc12
InChIInChI=1S/C10H13N3O2S2/c1-11-17(14,15)7-6-12-10-8-4-2-3-5-9(8)13-16-10/h2-5,11-12H,6-7H2,1H3
InChIKeyJZZMTTGCVNZRMT-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.26
Rot. Bonds5

About 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide

2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide (PubChem CID 106337620) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide
PubChem CID106337620
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1snc2ccccc12
InChIInChI=1S/C10H13N3O2S2/c1-11-17(14,15)7-6-12-10-8-4-2-3-5-9(8)13-16-10/h2-5,11-12H,6-7H2,1H3
InChIKeyJZZMTTGCVNZRMT-UHFFFAOYSA-N
XLogP1.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CI-624
CID 16984
n-Ethyl-2,1-benzothiazol-3-amine
CID 168930
N-(2,1-Benzisothiazol-3-yl)acetamide
CID 16205073
n-Propyl-2,1-benzothiazol-3-amine
CID 533425
CI-624 hydrochloride
CID 23617737
3-Piperidin-1-yl-2,1-benzothiazole
CID 12482143
3-(2-Methylpropyl)amino-2,1-benzisothiazole
CID 16204890
3-(1-Methylethyl)amino-2,1-benzisothiazole
CID 16204893
3-(sec-Butylamino)-2,1-benzisothiazole
CID 16204905
N-(2,1-Benzisothiazol-3-yl)propanamide
CID 16205188
N-(2,1-Benzisothiazol-3-yl)butanamide
CID 16205189
N-(2,1-Benzisothiazol-3-yl)-2-methylpropanamide
CID 16205190

Frequently Asked Questions

What is the IUPAC name of 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide?
The IUPAC name of 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide (CID 106337620) is 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1snc2ccccc12.
What is the InChIKey of 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide?
The InChIKey is JZZMTTGCVNZRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-11-17(14,15)7-6-12-10-8-4-2-3-5-9(8)13-16-10/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide?
2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide is sourced from PubChem (CID 106337620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).