2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine

C12H17NOS — CID 114827427

IUPAC2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCCOc1cccc2c1NCC(C)S2
InChIInChI=1S/C12H17NOS/c1-3-7-14-10-5-4-6-11-12(10)13-8-9(2)15-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyMOSNYDRPDWZXFL-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.38
Rot. Bonds3

About 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine

2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 114827427) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID114827427
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCCOc1cccc2c1NCC(C)S2
InChIInChI=1S/C12H17NOS/c1-3-7-14-10-5-4-6-11-12(10)13-8-9(2)15-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyMOSNYDRPDWZXFL-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine (CID 114827427) is 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine is CCCOc1cccc2c1NCC(C)S2.
What is the InChIKey of 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is MOSNYDRPDWZXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-7-14-10-5-4-6-11-12(10)13-8-9(2)15-11/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine?
2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 223.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propoxy-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 114827427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).