4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine

C9H10F2N2O2S2 — CID 54904933

IUPAC4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)C(F)F)CCS2
InChIInChI=1S/C9H10F2N2O2S2/c10-9(11)17(14,15)13-3-4-16-8-2-1-6(12)5-7(8)13/h1-2,5,9H,3-4,12H2
InChIKeyDAFIONUODKEXEI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.73
Rot. Bonds2

About 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine

4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 54904933) has the molecular formula C9H10F2N2O2S2 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID54904933
Molecular FormulaC9H10F2N2O2S2
Molecular Weight280.32 g/mol
Exact Mass280.02
IUPAC Name4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)C(F)F)CCS2
InChIInChI=1S/C9H10F2N2O2S2/c10-9(11)17(14,15)13-3-4-16-8-2-1-6(12)5-7(8)13/h1-2,5,9H,3-4,12H2
InChIKeyDAFIONUODKEXEI-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine (CID 54904933) is 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine is Nc1ccc2c(c1)N(S(=O)(=O)C(F)F)CCS2.
What is the InChIKey of 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is DAFIONUODKEXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2S2/c10-9(11)17(14,15)13-3-4-16-8-2-1-6(12)5-7(8)13/h1-2,5,9H,3-4,12H2.
What are the key properties of 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 280.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 54904933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).