4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine

C7H16FNO2S — CID 106735927

IUPAC4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine
SMILESCCS(=O)(=O)CCC(C)(F)CN
InChIInChI=1S/C7H16FNO2S/c1-3-12(10,11)5-4-7(2,8)6-9/h3-6,9H2,1-2H3
InChIKeyBPLOLIRWUYHQOK-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.50
Rot. Bonds5

About 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine

4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine (PubChem CID 106735927) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine
PubChem CID106735927
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC Name4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine
SMILESCCS(=O)(=O)CCC(C)(F)CN
InChIInChI=1S/C7H16FNO2S/c1-3-12(10,11)5-4-7(2,8)6-9/h3-6,9H2,1-2H3
InChIKeyBPLOLIRWUYHQOK-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

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Related Compounds

3-(Aminomethyl)-3-methanesulfonylpentane
CID 56828540
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295
3-(2-Fluoroethylsulfonyl)propan-1-amine
CID 58684365
2-(3-Fluoropropylsulfonyl)ethanamine
CID 58684867
3-(3,3,3-Trifluoropropylsulfonyl)butan-1-amine
CID 81195047
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
3-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 115519838
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine (CID 106735927) is 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine is CCS(=O)(=O)CCC(C)(F)CN.
What is the InChIKey of 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine?
The InChIKey is BPLOLIRWUYHQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-3-12(10,11)5-4-7(2,8)6-9/h3-6,9H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine?
4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine 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 4-ethylsulfonyl-2-fluoro-2-methylbutan-1-amine is sourced from PubChem (CID 106735927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).