N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine

C12H24N2O2S2 — CID 81004886

IUPACN-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H24N2O2S2/c1-3-13-8-10-4-5-11(10)14-6-7-17-9-12(14)18(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyIMUCOUOSNQRJJD-UHFFFAOYSA-N
MW292.47 g/mol
LogP0.79
Rot. Bonds5

About N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine

N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine (PubChem CID 81004886) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine
PubChem CID81004886
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H24N2O2S2/c1-3-13-8-10-4-5-11(10)14-6-7-17-9-12(14)18(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyIMUCOUOSNQRJJD-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine 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 N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine (CID 81004886) is N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1N1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is IMUCOUOSNQRJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-3-13-8-10-4-5-11(10)14-6-7-17-9-12(14)18(2,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 292.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81004886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).