5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine

C8H18FNO2S — CID 112565180

IUPAC5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(F)CN
InChIInChI=1S/C8H18FNO2S/c1-3-13(11,12)6-4-5-8(2,9)7-10/h3-7,10H2,1-2H3
InChIKeyNABWCAWKNMIGEK-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.89
Rot. Bonds6

About 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine

5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine (PubChem CID 112565180) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine
PubChem CID112565180
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(F)CN
InChIInChI=1S/C8H18FNO2S/c1-3-13(11,12)6-4-5-8(2,9)7-10/h3-7,10H2,1-2H3
InChIKeyNABWCAWKNMIGEK-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethylsulfonyl-2-fluoro-2-methylpentan-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

4,4-Dimethyl-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
CID 123204712
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542
3-(3,3,3-Trifluoropropylsulfonyl)pentan-1-amine
CID 142791544
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
2-(3-Fluoro-3-methylbutyl)sulfonylethanamine
CID 84667802
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422
[3-(Fluoromethyl)-1,1-dioxothian-3-yl]methanamine
CID 84773583
2-(5-Fluoro-1,1-dioxothiepan-4-yl)ethanamine
CID 84780768
6-Ethylsulfonyl-3-fluorohexan-1-amine
CID 104277112

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine (CID 112565180) is 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine is CCS(=O)(=O)CCCC(C)(F)CN.
What is the InChIKey of 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine?
The InChIKey is NABWCAWKNMIGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-3-13(11,12)6-4-5-8(2,9)7-10/h3-7,10H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine?
5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-fluoro-2-methylpentan-1-amine is sourced from PubChem (CID 112565180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).