5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine

C11H21F3N2O2S — CID 79953434

IUPAC5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
SMILESCS(=O)(=O)N1CCCC(CC(N)CCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-19(17,18)16-6-2-3-9(8-16)7-10(15)4-5-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNJWFECKJPSSRKU-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.72
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine

5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine (PubChem CID 79953434) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
PubChem CID79953434
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Name5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
SMILESCS(=O)(=O)N1CCCC(CC(N)CCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-19(17,18)16-6-2-3-9(8-16)7-10(15)4-5-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNJWFECKJPSSRKU-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
4,6,6-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)heptan-2-amine
CID 105010999
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217639
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
3-N,3-N-diethyl-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butane-2,3-diamine
CID 79619573
1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166994
1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011041
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine (CID 79953434) is 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine is CS(=O)(=O)N1CCCC(CC(N)CCC(F)(F)F)C1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
The InChIKey is NJWFECKJPSSRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-19(17,18)16-6-2-3-9(8-16)7-10(15)4-5-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine has a molecular weight of 302.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine is sourced from PubChem (CID 79953434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).