2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine

C11H24FNO2S — CID 106735945

IUPAC2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
SMILESCCCS(=O)(=O)CCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-5-7-16(14,15)8-6-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyVEDZDMSZABDZRZ-UHFFFAOYSA-N
MW253.38 g/mol
LogP1.91
Rot. Bonds6

About 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine (PubChem CID 106735945) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
PubChem CID106735945
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
SMILESCCCS(=O)(=O)CCC(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO2S/c1-5-7-16(14,15)8-6-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3
InChIKeyVEDZDMSZABDZRZ-UHFFFAOYSA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
CID 123204712
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanamine
CID 84773584
(4-Fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
CID 105449127
(3-Fluoro-4-methyl-1,1-dioxothian-4-yl)methanamine
CID 105449128
2-(1,1-Dioxothian-3-yl)-2-fluoropropan-1-amine
CID 105463172
2-(3-Fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine
CID 105463186
2-(4-Fluoro-1,1-dioxothian-4-yl)propan-1-amine
CID 105463187
2-(1,1-Dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
2-(4-Fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine
CID 105480924
2-(3-Fluoro-1,1-dioxothian-3-yl)-2-methylpropan-1-amine
CID 105480925
2-Fluoro-2-methyl-4-propylsulfonylbutan-1-amine
CID 106735925
4-Tert-butylsulfonyl-2-fluoro-2-methylbutan-1-amine
CID 106735926

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine (CID 106735945) is 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine is CCCS(=O)(=O)CCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
The InChIKey is VEDZDMSZABDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-5-7-16(14,15)8-6-11(12,9-13)10(2,3)4/h5-9,13H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine has a molecular weight of 253.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 106735945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).