ethane;4-methyl-2,3-dihydro-1,4-benzothiazine

C11H17NS — CID 142222955

IUPACethane;4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCC.CN1CCSc2ccccc21
InChIInChI=1S/C9H11NS.C2H6/c1-10-6-7-11-9-5-3-2-4-8(9)10;1-2/h2-5H,6-7H2,1H3;1-2H3
InChIKeyBVOCXALCKKEUFM-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.25
Rot. Bonds

About ethane;4-methyl-2,3-dihydro-1,4-benzothiazine

ethane;4-methyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 142222955) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;4-methyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Nameethane;4-methyl-2,3-dihydro-1,4-benzothiazine
PubChem CID142222955
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Nameethane;4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCC.CN1CCSc2ccccc21
InChIInChI=1S/C9H11NS.C2H6/c1-10-6-7-11-9-5-3-2-4-8(9)10;1-2/h2-5H,6-7H2,1H3;1-2H3
InChIKeyBVOCXALCKKEUFM-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84618553
4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 64593320
2,5-dimethyl-3,4-dihydro-2H-1,5-benzothiazepine
CID 131131891
5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84631089
bis(ethanethioic S-acid);3-methyl-2H-1,3-benzothiazole
CID 88660587
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 110713052
1-(2,3,4,5-tetrahydro-1,6-benzothiazocin-6-yl)ethanone
CID 10353467
4-butylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 110713059
2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 79814596
5-propyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 43953804
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of ethane;4-methyl-2,3-dihydro-1,4-benzothiazine (CID 142222955) is ethane;4-methyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for ethane;4-methyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for ethane;4-methyl-2,3-dihydro-1,4-benzothiazine is CC.CN1CCSc2ccccc21.
What is the InChIKey of ethane;4-methyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is BVOCXALCKKEUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-10-6-7-11-9-5-3-2-4-8(9)10;1-2/h2-5H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2,3-dihydro-1,4-benzothiazine?
ethane;4-methyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 195.33 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 142222955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).