3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide

C10H22N2O2S — CID 56790919

IUPAC3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide
SMILESC=C(C)CN(CC)CCCS(=O)(=O)NC
InChIInChI=1S/C10H22N2O2S/c1-5-12(9-10(2)3)7-6-8-15(13,14)11-4/h11H,2,5-9H2,1,3-4H3
InChIKeyFZEOWZWOYLHGPB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.82
Rot. Bonds8

About 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide

3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide (PubChem CID 56790919) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide
PubChem CID56790919
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide
SMILESC=C(C)CN(CC)CCCS(=O)(=O)NC
InChIInChI=1S/C10H22N2O2S/c1-5-12(9-10(2)3)7-6-8-15(13,14)11-4/h11H,2,5-9H2,1,3-4H3
InChIKeyFZEOWZWOYLHGPB-UHFFFAOYSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide (CID 56790919) is 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide is C=C(C)CN(CC)CCCS(=O)(=O)NC.
What is the InChIKey of 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide?
The InChIKey is FZEOWZWOYLHGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-5-12(9-10(2)3)7-6-8-15(13,14)11-4/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide?
3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylprop-2-enyl)amino]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 56790919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).