4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide

C11H22N2O2S — CID 59603436

IUPAC4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CN1CC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-10(2)7-12-8-11(9-12)13-3-5-16(14,15)6-4-13/h10-11H,3-9H2,1-2H3
InChIKeyFNMKUGVEJDZGNB-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.06
Rot. Bonds3

About 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide

4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 59603436) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID59603436
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CN1CC(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-10(2)7-12-8-11(9-12)13-3-5-16(14,15)6-4-13/h10-11H,3-9H2,1-2H3
InChIKeyFNMKUGVEJDZGNB-UHFFFAOYSA-N
XLogP0.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2-methylpropyl)azetidin-3-yl]-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 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide (CID 59603436) is 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide is CC(C)CN1CC(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FNMKUGVEJDZGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(2)7-12-8-11(9-12)13-3-5-16(14,15)6-4-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 246.38 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropyl)azetidin-3-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 59603436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).