2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine

C10H18F3NS — CID 63115206

IUPAC2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-2-8(14)9(10(11,12)13)15-7-5-3-4-6-7/h7-9H,2-6,14H2,1H3
InChIKeyHNUZUGMDGWNWCT-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.33
Rot. Bonds4

About 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine

2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine (PubChem CID 63115206) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine
PubChem CID63115206
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-2-8(14)9(10(11,12)13)15-7-5-3-4-6-7/h7-9H,2-6,14H2,1H3
InChIKeyHNUZUGMDGWNWCT-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine (CID 63115206) is 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine is CCC(N)C(SC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine?
The InChIKey is HNUZUGMDGWNWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-8(14)9(10(11,12)13)15-7-5-3-4-6-7/h7-9H,2-6,14H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine?
2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine has a molecular weight of 241.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 63115206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).