6-(dimethylsulfamoylamino)-1,2-benzothiazole

C9H11N3O2S2 — CID 70645043

IUPAC6-(dimethylsulfamoylamino)-1,2-benzothiazole
SMILESCN(C)S(=O)(=O)Nc1ccc2cnsc2c1
InChIInChI=1S/C9H11N3O2S2/c1-12(2)16(13,14)11-8-4-3-7-6-10-15-9(7)5-8/h3-6,11H,1-2H3
InChIKeyXEIIWDRFWDASQX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.51
Rot. Bonds3

About 6-(dimethylsulfamoylamino)-1,2-benzothiazole

6-(dimethylsulfamoylamino)-1,2-benzothiazole (PubChem CID 70645043) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(dimethylsulfamoylamino)-1,2-benzothiazole.

Molecular Properties

Compound Name6-(dimethylsulfamoylamino)-1,2-benzothiazole
PubChem CID70645043
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC Name6-(dimethylsulfamoylamino)-1,2-benzothiazole
SMILESCN(C)S(=O)(=O)Nc1ccc2cnsc2c1
InChIInChI=1S/C9H11N3O2S2/c1-12(2)16(13,14)11-8-4-3-7-6-10-15-9(7)5-8/h3-6,11H,1-2H3
InChIKeyXEIIWDRFWDASQX-UHFFFAOYSA-N
XLogP1.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoylamino)-1,2-benzothiazole?
The IUPAC name of 6-(dimethylsulfamoylamino)-1,2-benzothiazole (CID 70645043) is 6-(dimethylsulfamoylamino)-1,2-benzothiazole.
What is the SMILES notation for 6-(dimethylsulfamoylamino)-1,2-benzothiazole?
The canonical SMILES for 6-(dimethylsulfamoylamino)-1,2-benzothiazole is CN(C)S(=O)(=O)Nc1ccc2cnsc2c1.
What is the InChIKey of 6-(dimethylsulfamoylamino)-1,2-benzothiazole?
The InChIKey is XEIIWDRFWDASQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-12(2)16(13,14)11-8-4-3-7-6-10-15-9(7)5-8/h3-6,11H,1-2H3.
What are the key properties of 6-(dimethylsulfamoylamino)-1,2-benzothiazole?
6-(dimethylsulfamoylamino)-1,2-benzothiazole has a molecular weight of 257.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoylamino)-1,2-benzothiazole is sourced from PubChem (CID 70645043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).