(5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol

C13H19NOS — CID 84628942

IUPAC(5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol
SMILESCCc1cccc2c1N(C)C(C)C(CO)S2
InChIInChI=1S/C13H19NOS/c1-4-10-6-5-7-11-13(10)14(3)9(2)12(8-15)16-11/h5-7,9,12,15H,4,8H2,1-3H3
InChIKeyLLFUYNGDTISTGD-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.54
Rot. Bonds2

About (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol

(5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol (PubChem CID 84628942) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol
PubChem CID84628942
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol
SMILESCCc1cccc2c1N(C)C(C)C(CO)S2
InChIInChI=1S/C13H19NOS/c1-4-10-6-5-7-11-13(10)14(3)9(2)12(8-15)16-11/h5-7,9,12,15H,4,8H2,1-3H3
InChIKeyLLFUYNGDTISTGD-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84620981
2-(5-methoxy-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)acetic acid
CID 84640483
2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
CID 84628945
5-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
CID 84636872
[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
CID 117027938
[(2R,3R)-3-methyl-4-methylsulfonyl-3,4-dihydro-2H-thiochromen-2-yl]methanol
CID 160519485
3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84639547
[1-(2,6-diethylphenyl)piperidin-2-yl]methanol
CID 117027992
4-ethyl-1-methyl-2,3-dihydroindol-2-ol
CID 145223584
1-ethylphenothiazine-10-carboxylic acid;hydrochloride
CID 174463458
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol?
The IUPAC name of (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol (CID 84628942) is (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol.
What is the SMILES notation for (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol?
The canonical SMILES for (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol is CCc1cccc2c1N(C)C(C)C(CO)S2.
What is the InChIKey of (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol?
The InChIKey is LLFUYNGDTISTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-10-6-5-7-11-13(10)14(3)9(2)12(8-15)16-11/h5-7,9,12,15H,4,8H2,1-3H3.
What are the key properties of (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol?
(5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol has a molecular weight of 237.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol is sourced from PubChem (CID 84628942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).