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

C11H24FNO2S — CID 107443657

IUPAC6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine
SMILESCCS(=O)(=O)CCCC(F)C(CN)C(C)C
InChIInChI=1S/C11H24FNO2S/c1-4-16(14,15)7-5-6-11(12)10(8-13)9(2)3/h9-11H,4-8,13H2,1-3H3
InChIKeyUHVSHQNMGWUEME-UHFFFAOYSA-N
MW253.38 g/mol
LogP1.77
Rot. Bonds8

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

6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine (PubChem CID 107443657) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine
PubChem CID107443657
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC Name6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine
SMILESCCS(=O)(=O)CCCC(F)C(CN)C(C)C
InChIInChI=1S/C11H24FNO2S/c1-4-16(14,15)7-5-6-11(12)10(8-13)9(2)3/h9-11H,4-8,13H2,1-3H3
InChIKeyUHVSHQNMGWUEME-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 51.77
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
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
2-(5-Fluoro-1,1-dioxothiepan-4-yl)ethanamine
CID 84780768
[1,1-Dioxo-3-(2,2,2-trifluoroethyl)thian-4-yl]methanamine
CID 84802850
3-Fluoro-3-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 104277205
4-Ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105152632
2-(3-Fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
CID 105449135
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

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine?
The IUPAC name of 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine (CID 107443657) is 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine is CCS(=O)(=O)CCCC(F)C(CN)C(C)C.
What is the InChIKey of 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine?
The InChIKey is UHVSHQNMGWUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-4-16(14,15)7-5-6-11(12)10(8-13)9(2)3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine?
6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine has a molecular weight of 253.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107443657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).