6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one

C14H15NOS — CID 102039452

IUPAC6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one
SMILESCC1(C)Sc2ccccc2N2C(=O)C=CCC21
InChIInChI=1S/C14H15NOS/c1-14(2)12-8-5-9-13(16)15(12)10-6-3-4-7-11(10)17-14/h3-7,9,12H,8H2,1-2H3
InChIKeyJMDWXBYQIWZCDJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.23
Rot. Bonds

About 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one

6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one (PubChem CID 102039452) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one.

Molecular Properties

Compound Name6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one
PubChem CID102039452
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one
SMILESCC1(C)Sc2ccccc2N2C(=O)C=CCC21
InChIInChI=1S/C14H15NOS/c1-14(2)12-8-5-9-13(16)15(12)10-6-3-4-7-11(10)17-14/h3-7,9,12H,8H2,1-2H3
InChIKeyJMDWXBYQIWZCDJ-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 69500
10-Acetylphenothiazine
CID 74200
2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)-1-propanone
CID 113918
10-(2-(Diethylamino)propionyl)phenothiazine
CID 1403
2-(3-Methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone
CID 4877578
2-(2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
CID 71682176
4-(2-fluorobenzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
CID 3244415
(E)-1-(10H-phenothiazin-10-yl)-3-phenylprop-2-en-1-one
CID 2326820
2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one
CID 1715032
2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 68846
2,2-Dimethyl-2H-1,4-benzothiazin-3(4H)-one
CID 13293492
2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
CID 4962259

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one?
The IUPAC name of 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one (CID 102039452) is 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one.
What is the SMILES notation for 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one?
The canonical SMILES for 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one is CC1(C)Sc2ccccc2N2C(=O)C=CCC21.
What is the InChIKey of 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one?
The InChIKey is JMDWXBYQIWZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-14(2)12-8-5-9-13(16)15(12)10-6-3-4-7-11(10)17-14/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one?
6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one has a molecular weight of 245.35 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-6a,7-dihydropyrido[2,1-c][1,4]benzothiazin-10-one is sourced from PubChem (CID 102039452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).