2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine

C10H14N2S — CID 7084759

IUPAC2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine
SMILESCC1(C)CNc2cc(N)ccc2S1
InChIInChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3
InChIKeyVAEKSNCACFJICM-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.57
Rot. Bonds

About 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine

2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine (PubChem CID 7084759) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine
PubChem CID7084759
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine
SMILESCC1(C)CNc2cc(N)ccc2S1
InChIInChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3
InChIKeyVAEKSNCACFJICM-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine (CID 7084759) is 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine is CC1(C)CNc2cc(N)ccc2S1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is VAEKSNCACFJICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine?
2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 194.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 7084759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).