7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine

C14H13NS — CID 142842300

IUPAC7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine
SMILESCC1=CC2=C(CC=C1)N=C1C=CCC=C1S2
InChIInChI=1S/C14H13NS/c1-10-5-4-7-12-14(9-10)16-13-8-3-2-6-11(13)15-12/h2,4-6,8-9H,3,7H2,1H3
InChIKeyIJPGHQGTMWHOJI-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.14
Rot. Bonds

About 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine

7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine (PubChem CID 142842300) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine.

Molecular Properties

Compound Name7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine
PubChem CID142842300
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine
SMILESCC1=CC2=C(CC=C1)N=C1C=CCC=C1S2
InChIInChI=1S/C14H13NS/c1-10-5-4-7-12-14(9-10)16-13-8-3-2-6-11(13)15-12/h2,4-6,8-9H,3,7H2,1H3
InChIKeyIJPGHQGTMWHOJI-UHFFFAOYSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine
CID 142809452
3H-cyclohepta[b][1,4]benzothiazine;ethane
CID 144353694
3H-cyclohepta[b][1,4]benzothiazine
CID 144353695

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine?
The IUPAC name of 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine (CID 142842300) is 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine.
What is the SMILES notation for 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine?
The canonical SMILES for 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine is CC1=CC2=C(CC=C1)N=C1C=CCC=C1S2.
What is the InChIKey of 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine?
The InChIKey is IJPGHQGTMWHOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-10-5-4-7-12-14(9-10)16-13-8-3-2-6-11(13)15-12/h2,4-6,8-9H,3,7H2,1H3.
What are the key properties of 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine?
7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine has a molecular weight of 227.33 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine is sourced from PubChem (CID 142842300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).