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

C10H20F3NO3S — CID 103215423

IUPAC5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(COCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO3S/c1-3-18(15,16)6-4-5-9(14-2)7-17-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyVYMOXMLNNVYELU-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.37
Rot. Bonds9

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

5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 103215423) has the molecular formula C10H20F3NO3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID103215423
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC Name5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(COCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO3S/c1-3-18(15,16)6-4-5-9(14-2)7-17-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyVYMOXMLNNVYELU-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Methoxyethyl)-3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propane-1-amine
CID 86696819
(3R)-3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine
CID 117928063
3-[2-(4,4,5,5,5-Pentafluoropentylsulfonyl)ethyl]morpholine
CID 123707228
3-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 61490721
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 61490839
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 61492634
1-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 63828893
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-3-amine
CID 63924619
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 64630782
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 65045807
3-ethylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 65092902
1,1-dioxo-N-[2-(trifluoromethoxy)ethyl]thian-3-amine
CID 65805832

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 103215423) is 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is CCS(=O)(=O)CCCC(COCC(F)(F)F)NC.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is VYMOXMLNNVYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-3-18(15,16)6-4-5-9(14-2)7-17-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 103215423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).