2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine

C10H23NO2S — CID 62724469

IUPAC2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CCS(=O)(=O)CC)CNC
InChIInChI=1S/C10H23NO2S/c1-5-10(3,9-11-4)7-8-14(12,13)6-2/h11H,5-9H2,1-4H3
InChIKeyAKPSXBXFCGFTCO-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.45
Rot. Bonds7

About 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine

2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine (PubChem CID 62724469) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine
PubChem CID62724469
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CCS(=O)(=O)CC)CNC
InChIInChI=1S/C10H23NO2S/c1-5-10(3,9-11-4)7-8-14(12,13)6-2/h11H,5-9H2,1-4H3
InChIKeyAKPSXBXFCGFTCO-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine (CID 62724469) is 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine is CCC(C)(CCS(=O)(=O)CC)CNC.
What is the InChIKey of 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine?
The InChIKey is AKPSXBXFCGFTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-10(3,9-11-4)7-8-14(12,13)6-2/h11H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine?
2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-ethylsulfonyl-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62724469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).