6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide

C9H13N3O2S2 — CID 114804639

IUPAC6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCSc2ccc(N)cc21
InChIInChI=1S/C9H13N3O2S2/c1-11-16(13,14)12-4-5-15-9-3-2-7(10)6-8(9)12/h2-3,6,11H,4-5,10H2,1H3
InChIKeyUSBFPWMFZRWCHK-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.65
Rot. Bonds2

About 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide

6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide (PubChem CID 114804639) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide.

Molecular Properties

Compound Name6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide
PubChem CID114804639
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC Name6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCSc2ccc(N)cc21
InChIInChI=1S/C9H13N3O2S2/c1-11-16(13,14)12-4-5-15-9-3-2-7(10)6-8(9)12/h2-3,6,11H,4-5,10H2,1H3
InChIKeyUSBFPWMFZRWCHK-UHFFFAOYSA-N
XLogP0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide?
The IUPAC name of 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide (CID 114804639) is 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide.
What is the SMILES notation for 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide?
The canonical SMILES for 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide is CNS(=O)(=O)N1CCSc2ccc(N)cc21.
What is the InChIKey of 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide?
The InChIKey is USBFPWMFZRWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-11-16(13,14)12-4-5-15-9-3-2-7(10)6-8(9)12/h2-3,6,11H,4-5,10H2,1H3.
What are the key properties of 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide?
6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide has a molecular weight of 259.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide is sourced from PubChem (CID 114804639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).