3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide

C9H22N2O2S2 — CID 106079659

IUPAC3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC(C)CSC
InChIInChI=1S/C9H22N2O2S2/c1-4-10-6-5-7-15(12,13)11-9(2)8-14-3/h9-11H,4-8H2,1-3H3
InChIKeyAXKIEJSKWRMJLI-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.66
Rot. Bonds9

About 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide

3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide (PubChem CID 106079659) has the molecular formula C9H22N2O2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
PubChem CID106079659
Molecular FormulaC9H22N2O2S2
Molecular Weight254.42 g/mol
Exact Mass254.11
IUPAC Name3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC(C)CSC
InChIInChI=1S/C9H22N2O2S2/c1-4-10-6-5-7-15(12,13)11-9(2)8-14-3/h9-11H,4-8H2,1-3H3
InChIKeyAXKIEJSKWRMJLI-UHFFFAOYSA-N
XLogP0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide 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

4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
CID 114142289
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 106051367
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide
CID 114142621
N-[4-(dimethylamino)butan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106054820
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
CID 106068224

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide (CID 106079659) is 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide is CCNCCCS(=O)(=O)NC(C)CSC.
What is the InChIKey of 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is AXKIEJSKWRMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S2/c1-4-10-6-5-7-15(12,13)11-9(2)8-14-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide?
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 254.42 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 106079659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).