2-(3-fluoro-3-methylbutyl)sulfonylethanamine

C7H16FNO2S — CID 84667802

IUPAC2-(3-fluoro-3-methylbutyl)sulfonylethanamine
SMILESCC(C)(F)CCS(=O)(=O)CCN
InChIInChI=1S/C7H16FNO2S/c1-7(2,8)3-5-12(10,11)6-4-9/h3-6,9H2,1-2H3
InChIKeyFTRLQDRWTWYJNY-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.50
Rot. Bonds5

About 2-(3-fluoro-3-methylbutyl)sulfonylethanamine

2-(3-fluoro-3-methylbutyl)sulfonylethanamine (PubChem CID 84667802) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylbutyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(3-fluoro-3-methylbutyl)sulfonylethanamine
PubChem CID84667802
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC Name2-(3-fluoro-3-methylbutyl)sulfonylethanamine
SMILESCC(C)(F)CCS(=O)(=O)CCN
InChIInChI=1S/C7H16FNO2S/c1-7(2,8)3-5-12(10,11)6-4-9/h3-6,9H2,1-2H3
InChIKeyFTRLQDRWTWYJNY-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-3-methylbutyl)sulfonylethanamine 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

3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
2-(2-Aminoethanesulfonyl)-2-methylpropane hydrochloride
CID 54593087
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
3,3'-Sulfonylbis(1-propanamine)
CID 14585888
2-(2-Aminoethanesulfonyl)-2-methylpropane
CID 43444511
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295
3-(2-Fluoroethylsulfonyl)propan-1-amine
CID 58684365
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylbutyl)sulfonylethanamine?
The IUPAC name of 2-(3-fluoro-3-methylbutyl)sulfonylethanamine (CID 84667802) is 2-(3-fluoro-3-methylbutyl)sulfonylethanamine.
What is the SMILES notation for 2-(3-fluoro-3-methylbutyl)sulfonylethanamine?
The canonical SMILES for 2-(3-fluoro-3-methylbutyl)sulfonylethanamine is CC(C)(F)CCS(=O)(=O)CCN.
What is the InChIKey of 2-(3-fluoro-3-methylbutyl)sulfonylethanamine?
The InChIKey is FTRLQDRWTWYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-7(2,8)3-5-12(10,11)6-4-9/h3-6,9H2,1-2H3.
What are the key properties of 2-(3-fluoro-3-methylbutyl)sulfonylethanamine?
2-(3-fluoro-3-methylbutyl)sulfonylethanamine has a molecular weight of 197.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylbutyl)sulfonylethanamine is sourced from PubChem (CID 84667802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).