2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine

C13H18N2S — CID 142603383

IUPAC2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine
SMILESCC(C)c1ccc2c(c1)N=C(N)C(C)(C)S2
InChIInChI=1S/C13H18N2S/c1-8(2)9-5-6-11-10(7-9)15-12(14)13(3,4)16-11/h5-8H,1-4H3,(H2,14,15)
InChIKeyGTSOEBUFBJOQJK-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.68
Rot. Bonds1

About 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine

2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine (PubChem CID 142603383) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine
PubChem CID142603383
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine
SMILESCC(C)c1ccc2c(c1)N=C(N)C(C)(C)S2
InChIInChI=1S/C13H18N2S/c1-8(2)9-5-6-11-10(7-9)15-12(14)13(3,4)16-11/h5-8H,1-4H3,(H2,14,15)
InChIKeyGTSOEBUFBJOQJK-UHFFFAOYSA-N
XLogP3.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine?
The IUPAC name of 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine (CID 142603383) is 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine.
What is the SMILES notation for 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine?
The canonical SMILES for 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine is CC(C)c1ccc2c(c1)N=C(N)C(C)(C)S2.
What is the InChIKey of 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine?
The InChIKey is GTSOEBUFBJOQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-8(2)9-5-6-11-10(7-9)15-12(14)13(3,4)16-11/h5-8H,1-4H3,(H2,14,15).
What are the key properties of 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine?
2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine has a molecular weight of 234.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-propan-2-yl-1,4-benzothiazin-3-amine is sourced from PubChem (CID 142603383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).