N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine

C10H20F3NO2S — CID 113350885

IUPACN-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine
SMILESCCS(=O)(=O)CC(C)NCCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-17(15,16)8-9(2)14-7-5-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyOPCUSIAEBDSJGI-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.13
Rot. Bonds8

About N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine

N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine (PubChem CID 113350885) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine
PubChem CID113350885
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine
SMILESCCS(=O)(=O)CC(C)NCCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-17(15,16)8-9(2)14-7-5-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyOPCUSIAEBDSJGI-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
CID 115901521
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutan-1-amine
CID 107859586
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride
CID 173241970
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
CID 115901279
1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide
CID 113328190

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine (CID 113350885) is N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine is CCS(=O)(=O)CC(C)NCCCCC(F)(F)F.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is OPCUSIAEBDSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-3-17(15,16)8-9(2)14-7-5-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine?
N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113350885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).