1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

C10H20F3NS — CID 65128350

IUPAC1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSCC
InChIInChI=1S/C10H20F3NS/c1-3-7-14-9(8-15-4-2)5-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyNWSYZEZZGHQMAM-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.45
Rot. Bonds8

About 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 65128350) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID65128350
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSCC
InChIInChI=1S/C10H20F3NS/c1-3-7-14-9(8-15-4-2)5-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyNWSYZEZZGHQMAM-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516904
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
CID 82923156
1,1,1-trifluoro-N-propyloct-6-yn-4-amine
CID 79964063
1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
CID 79574875
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (CID 65128350) is 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CSCC.
What is the InChIKey of 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is NWSYZEZZGHQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-3-7-14-9(8-15-4-2)5-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 65128350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).