2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine

C11H20F3NS — CID 63119275

IUPAC2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(SCC1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NS/c1-2-9(15)10(11(12,13)14)16-7-8-5-3-4-6-8/h8-10H,2-7,15H2,1H3
InChIKeyNCSRPXBHZWAQHN-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.58
Rot. Bonds5

About 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine

2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine (PubChem CID 63119275) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine
PubChem CID63119275
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(SCC1CCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NS/c1-2-9(15)10(11(12,13)14)16-7-8-5-3-4-6-8/h8-10H,2-7,15H2,1H3
InChIKeyNCSRPXBHZWAQHN-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine (CID 63119275) is 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(SCC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is NCSRPXBHZWAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-2-9(15)10(11(12,13)14)16-7-8-5-3-4-6-8/h8-10H,2-7,15H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine?
2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 255.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 63119275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).