6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine

C13H19NS — CID 84624012

IUPAC6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1cc2c(cc1C)SC(C(C)C)CN2
InChIInChI=1S/C13H19NS/c1-8(2)13-7-14-11-5-9(3)10(4)6-12(11)15-13/h5-6,8,13-14H,7H2,1-4H3
InChIKeyKRIXYCVRPPJUNR-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.85
Rot. Bonds1

About 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine

6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84624012) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84624012
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1cc2c(cc1C)SC(C(C)C)CN2
InChIInChI=1S/C13H19NS/c1-8(2)13-7-14-11-5-9(3)10(4)6-12(11)15-13/h5-6,8,13-14H,7H2,1-4H3
InChIKeyKRIXYCVRPPJUNR-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine (CID 84624012) is 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine is Cc1cc2c(cc1C)SC(C(C)C)CN2.
What is the InChIKey of 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is KRIXYCVRPPJUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-8(2)13-7-14-11-5-9(3)10(4)6-12(11)15-13/h5-6,8,13-14H,7H2,1-4H3.
What are the key properties of 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine?
6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 221.37 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84624012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).