7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]

C11H13NS — CID 115097143

IUPAC7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
SMILESCc1ccc2c(c1)SC1(CC1)CN2
InChIInChI=1S/C11H13NS/c1-8-2-3-9-10(6-8)13-11(4-5-11)7-12-9/h2-3,6,12H,4-5,7H2,1H3
InChIKeyHYRJLURUDMOYEI-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.05
Rot. Bonds

About 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]

7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] (PubChem CID 115097143) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane].

Molecular Properties

Compound Name7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
PubChem CID115097143
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
SMILESCc1ccc2c(c1)SC1(CC1)CN2
InChIInChI=1S/C11H13NS/c1-8-2-3-9-10(6-8)13-11(4-5-11)7-12-9/h2-3,6,12H,4-5,7H2,1H3
InChIKeyHYRJLURUDMOYEI-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] with MolForge

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Related Compounds

7-chlorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
CID 115097844
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]
CID 115097511
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol
CID 115097061
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopentane]
CID 115097599
5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115096973
7-methylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452146
3,3-diethyl-7-methyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115431539
3,3,8-trimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84719436
2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618469
6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
CID 81166977
5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115096974
5-methyl-2,3-dihydro-1,3-benzothiazole
CID 22342374

Frequently Asked Questions

What is the IUPAC name of 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The IUPAC name of 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] (CID 115097143) is 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane].
What is the SMILES notation for 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The canonical SMILES for 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] is Cc1ccc2c(c1)SC1(CC1)CN2.
What is the InChIKey of 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The InChIKey is HYRJLURUDMOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-2-3-9-10(6-8)13-11(4-5-11)7-12-9/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] has a molecular weight of 191.30 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] is sourced from PubChem (CID 115097143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).