3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine

C10H22FNO2S — CID 107443676

IUPAC3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine
SMILESCC(C)C(CN)C(F)CCCS(C)(=O)=O
InChIInChI=1S/C10H22FNO2S/c1-8(2)9(7-12)10(11)5-4-6-15(3,13)14/h8-10H,4-7,12H2,1-3H3
InChIKeyVNHPRCTXFNCHOD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds7

About 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine

3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine (PubChem CID 107443676) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine
PubChem CID107443676
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC Name3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine
SMILESCC(C)C(CN)C(F)CCCS(C)(=O)=O
InChIInChI=1S/C10H22FNO2S/c1-8(2)9(7-12)10(11)5-4-6-15(3,13)14/h8-10H,4-7,12H2,1-3H3
InChIKeyVNHPRCTXFNCHOD-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methanesulfonylcyclohexyl)methanamine
CID 84719803
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
2-(5-Fluoro-1,1-dioxothiepan-4-yl)ethanamine
CID 84780768
3-Fluoro-3-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 104277205
4-Methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113301
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-amine
CID 105463169
1-(1,1-Dioxothian-4-yl)-1-fluoropropan-2-amine
CID 105463170
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-amine
CID 105463171
2-(1,1-Dioxothian-3-yl)-2-fluoropropan-1-amine
CID 105463172
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 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine?
The IUPAC name of 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine (CID 107443676) is 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine.
What is the SMILES notation for 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine?
The canonical SMILES for 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine is CC(C)C(CN)C(F)CCCS(C)(=O)=O.
What is the InChIKey of 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine?
The InChIKey is VNHPRCTXFNCHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-8(2)9(7-12)10(11)5-4-6-15(3,13)14/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine?
3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107443676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).