2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one

C15H17NO2S — CID 15214536

IUPAC2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one
SMILESC=C(C)C1(C)CC12C(=O)N(C)c1ccccc1S2=O
InChIInChI=1S/C15H17NO2S/c1-10(2)14(3)9-15(14)13(17)16(4)11-7-5-6-8-12(11)19(15)18/h5-8H,1,9H2,2-4H3
InChIKeyNOMOREJXRWEIRE-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.50
Rot. Bonds1

About 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one

2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one (PubChem CID 15214536) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one
PubChem CID15214536
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one
SMILESC=C(C)C1(C)CC12C(=O)N(C)c1ccccc1S2=O
InChIInChI=1S/C15H17NO2S/c1-10(2)14(3)9-15(14)13(17)16(4)11-7-5-6-8-12(11)19(15)18/h5-8H,1,9H2,2-4H3
InChIKeyNOMOREJXRWEIRE-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
The IUPAC name of 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one (CID 15214536) is 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
The canonical SMILES for 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one is C=C(C)C1(C)CC12C(=O)N(C)c1ccccc1S2=O.
What is the InChIKey of 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
The InChIKey is NOMOREJXRWEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(2)14(3)9-15(14)13(17)16(4)11-7-5-6-8-12(11)19(15)18/h5-8H,1,9H2,2-4H3.
What are the key properties of 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one?
2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one has a molecular weight of 275.37 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',4-dimethyl-1-oxo-2'-prop-1-en-2-ylspiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 15214536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).