6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine

C9H18F3NO2S — CID 65095297

IUPAC6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine
SMILESCCS(=O)(=O)CCCC(CC(F)(F)F)NC
InChIInChI=1S/C9H18F3NO2S/c1-3-16(14,15)6-4-5-8(13-2)7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyXTLDNMOIFLUUMC-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.74
Rot. Bonds7

About 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine

6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine (PubChem CID 65095297) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine
PubChem CID65095297
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC Name6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine
SMILESCCS(=O)(=O)CCCC(CC(F)(F)F)NC
InChIInChI=1S/C9H18F3NO2S/c1-3-16(14,15)6-4-5-8(13-2)7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyXTLDNMOIFLUUMC-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine?
The IUPAC name of 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine (CID 65095297) is 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine.
What is the SMILES notation for 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine?
The canonical SMILES for 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine is CCS(=O)(=O)CCCC(CC(F)(F)F)NC.
What is the InChIKey of 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine?
The InChIKey is XTLDNMOIFLUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-3-16(14,15)6-4-5-8(13-2)7-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine?
6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine has a molecular weight of 261.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-1,1,1-trifluoro-N-methylhexan-3-amine is sourced from PubChem (CID 65095297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).