3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide

C12H19F2NO2S — CID 128578548

IUPAC3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2CC(F)(F)C2)C(C2CC2)C1
InChIInChI=1S/C12H19F2NO2S/c13-12(14)5-9(6-12)7-15-3-4-18(16,17)8-11(15)10-1-2-10/h9-11H,1-8H2
InChIKeyBRWNPJLWTNZGQB-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.54
Rot. Bonds3

About 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide

3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 128578548) has the molecular formula C12H19F2NO2S and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID128578548
Molecular FormulaC12H19F2NO2S
Molecular Weight279.35 g/mol
Exact Mass279.11
IUPAC Name3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2CC(F)(F)C2)C(C2CC2)C1
InChIInChI=1S/C12H19F2NO2S/c13-12(14)5-9(6-12)7-15-3-4-18(16,17)8-11(15)10-1-2-10/h9-11H,1-8H2
InChIKeyBRWNPJLWTNZGQB-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 128578548) is 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CC2CC(F)(F)C2)C(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is BRWNPJLWTNZGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2S/c13-12(14)5-9(6-12)7-15-3-4-18(16,17)8-11(15)10-1-2-10/h9-11H,1-8H2.
What are the key properties of 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 279.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 128578548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).