(4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol

C12H17NOS — CID 84624450

IUPAC(4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol
SMILESCc1ccc2c(c1C)N(C)C(CO)CS2
InChIInChI=1S/C12H17NOS/c1-8-4-5-11-12(9(8)2)13(3)10(6-14)7-15-11/h4-5,10,14H,6-7H2,1-3H3
InChIKeyWXHDGXIQPWJDCN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.21
Rot. Bonds1

About (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol

(4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol (PubChem CID 84624450) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol.

Molecular Properties

Compound Name(4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol
PubChem CID84624450
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol
SMILESCc1ccc2c(c1C)N(C)C(CO)CS2
InChIInChI=1S/C12H17NOS/c1-8-4-5-11-12(9(8)2)13(3)10(6-14)7-15-11/h4-5,10,14H,6-7H2,1-3H3
InChIKeyWXHDGXIQPWJDCN-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
The IUPAC name of (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol (CID 84624450) is (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol.
What is the SMILES notation for (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
The canonical SMILES for (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol is Cc1ccc2c(c1C)N(C)C(CO)CS2.
What is the InChIKey of (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
The InChIKey is WXHDGXIQPWJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-4-5-11-12(9(8)2)13(3)10(6-14)7-15-11/h4-5,10,14H,6-7H2,1-3H3.
What are the key properties of (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol?
(4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol has a molecular weight of 223.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanol is sourced from PubChem (CID 84624450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).