spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol

C10H11NOS — CID 115097061

IUPACspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol
SMILESOc1ccc2c(c1)NCC1(CC1)S2
InChIInChI=1S/C10H11NOS/c12-7-1-2-9-8(5-7)11-6-10(13-9)3-4-10/h1-2,5,11-12H,3-4,6H2
InChIKeyAOSBLRXTPCHUJB-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.44
Rot. Bonds

About spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol

spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol (PubChem CID 115097061) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol.

Molecular Properties

Compound Namespiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol
PubChem CID115097061
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Namespiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol
SMILESOc1ccc2c(c1)NCC1(CC1)S2
InChIInChI=1S/C10H11NOS/c12-7-1-2-9-8(5-7)11-6-10(13-9)3-4-10/h1-2,5,11-12H,3-4,6H2
InChIKeyAOSBLRXTPCHUJB-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol?
The IUPAC name of spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol (CID 115097061) is spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol.
What is the SMILES notation for spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol?
The canonical SMILES for spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol is Oc1ccc2c(c1)NCC1(CC1)S2.
What is the InChIKey of spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol?
The InChIKey is AOSBLRXTPCHUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-7-1-2-9-8(5-7)11-6-10(13-9)3-4-10/h1-2,5,11-12H,3-4,6H2.
What are the key properties of spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol?
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol has a molecular weight of 193.27 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol is sourced from PubChem (CID 115097061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).