2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine

C10H22FNO2S — CID 106735948

IUPAC2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine
SMILESCCCS(=O)(=O)CCC(F)(CN)C(C)C
InChIInChI=1S/C10H22FNO2S/c1-4-6-15(13,14)7-5-10(11,8-12)9(2)3/h9H,4-8,12H2,1-3H3
InChIKeyFGQMEYQKDLJGNL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds7

About 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine

2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine (PubChem CID 106735948) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine
PubChem CID106735948
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine
SMILESCCCS(=O)(=O)CCC(F)(CN)C(C)C
InChIInChI=1S/C10H22FNO2S/c1-4-6-15(13,14)7-5-10(11,8-12)9(2)3/h9H,4-8,12H2,1-3H3
InChIKeyFGQMEYQKDLJGNL-UHFFFAOYSA-N
XLogP1.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(5-Fluoro-1,1-dioxothiepan-4-yl)ethanamine
CID 84780768
2-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-amine
CID 105449124
2-(3-Fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
CID 105449135
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-amine
CID 105463171
2-(1,1-Dioxothian-3-yl)-2-fluoropropan-1-amine
CID 105463172
2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylpropan-1-amine
CID 105463173
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-1-amine
CID 105463174
3-(1,1-Dioxothiolan-3-yl)-2-fluoro-2-methylpropan-1-amine
CID 105463176

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine (CID 106735948) is 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine is CCCS(=O)(=O)CCC(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine?
The InChIKey is FGQMEYQKDLJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-4-6-15(13,14)7-5-10(11,8-12)9(2)3/h9H,4-8,12H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine?
2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(2-propylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 106735948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).