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

C11H13NS — CID 115096973

IUPAC5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
SMILESCc1cccc2c1NCC1(CC1)S2
InChIInChI=1S/C11H13NS/c1-8-3-2-4-9-10(8)12-7-11(13-9)5-6-11/h2-4,12H,5-7H2,1H3
InChIKeyUPNSTRKNGSFCML-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.05
Rot. Bonds

About 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]

5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] (PubChem CID 115096973) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane].

Molecular Properties

Compound Name5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
PubChem CID115096973
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
SMILESCc1cccc2c1NCC1(CC1)S2
InChIInChI=1S/C11H13NS/c1-8-3-2-4-9-10(8)12-7-11(13-9)5-6-11/h2-4,12H,5-7H2,1H3
InChIKeyUPNSTRKNGSFCML-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

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The IUPAC name of 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] (CID 115096973) is 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane].
What is the SMILES notation for 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The canonical SMILES for 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] is Cc1cccc2c1NCC1(CC1)S2.
What is the InChIKey of 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The InChIKey is UPNSTRKNGSFCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-3-2-4-9-10(8)12-7-11(13-9)5-6-11/h2-4,12H,5-7H2,1H3.
What are the key properties of 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
5-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 5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] is sourced from PubChem (CID 115096973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).