4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine

C11H24N2O2S2 — CID 66377349

IUPAC4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCCCNC
InChIInChI=1S/C11H24N2O2S2/c1-3-17(14,15)11-10-16-9-8-13(11)7-5-4-6-12-2/h11-12H,3-10H2,1-2H3
InChIKeyHCKNYOYNCVHTOX-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.80
Rot. Bonds7

About 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine

4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine (PubChem CID 66377349) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
PubChem CID66377349
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1CCCCNC
InChIInChI=1S/C11H24N2O2S2/c1-3-17(14,15)11-10-16-9-8-13(11)7-5-4-6-12-2/h11-12H,3-10H2,1-2H3
InChIKeyHCKNYOYNCVHTOX-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
CID 66377931
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3-methoxypropan-1-amine
CID 66375608
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine (CID 66377349) is 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine is CCS(=O)(=O)C1CSCCN1CCCCNC.
What is the InChIKey of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine?
The InChIKey is HCKNYOYNCVHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-3-17(14,15)11-10-16-9-8-13(11)7-5-4-6-12-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine?
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 66377349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).