3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol

C15H23NOS — CID 84640010

IUPAC3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol
SMILESCC(C)c1cccc2c1N(C)C(CCCO)CS2
InChIInChI=1S/C15H23NOS/c1-11(2)13-7-4-8-14-15(13)16(3)12(10-18-14)6-5-9-17/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3
InChIKeyGENAMLNWEGAPFS-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.49
Rot. Bonds4

About 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol

3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol (PubChem CID 84640010) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol
PubChem CID84640010
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol
SMILESCC(C)c1cccc2c1N(C)C(CCCO)CS2
InChIInChI=1S/C15H23NOS/c1-11(2)13-7-4-8-14-15(13)16(3)12(10-18-14)6-5-9-17/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3
InChIKeyGENAMLNWEGAPFS-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol?
The IUPAC name of 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol (CID 84640010) is 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol is CC(C)c1cccc2c1N(C)C(CCCO)CS2.
What is the InChIKey of 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol?
The InChIKey is GENAMLNWEGAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)13-7-4-8-14-15(13)16(3)12(10-18-14)6-5-9-17/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3.
What are the key properties of 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol?
3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol is sourced from PubChem (CID 84640010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).