5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

C10H20F3NO2S — CID 114899371

IUPAC5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-17(15,16)6-4-5-9(2)7-14-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyBAWROMLJRMKSFI-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.99
Rot. Bonds8

About 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 114899371) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID114899371
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC Name5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-17(15,16)6-4-5-9(2)7-14-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyBAWROMLJRMKSFI-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 114899371) is 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is CCS(=O)(=O)CCCC(C)CNCC(F)(F)F.
What is the InChIKey of 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is BAWROMLJRMKSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-3-17(15,16)6-4-5-9(2)7-14-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 114899371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).