3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine

C9H16F3NS — CID 63115522

IUPAC3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)8(5-6-13)14-7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyWPOUPUZEUKZJQG-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds4

About 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine

3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine (PubChem CID 63115522) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine
PubChem CID63115522
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)8(5-6-13)14-7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyWPOUPUZEUKZJQG-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-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

3-(4,4,5,5,5-Pentafluoropentylsulfanyl)propan-1-amine
CID 15485804
3-(4,4,5,5,5-Pentafluoropentylsulfanyl)butan-1-amine
CID 57306823
4-(2,2,2-Trifluoroethylsulfanyl)butan-1-amine
CID 174934856
3-Butan-2-ylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 43753395
3-Tert-butylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 43753397
3-Butylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 43753435
3-Cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 60885582
2-Cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine
CID 63115058
2-Cyclopentylsulfanyl-1,1,1-trifluoropentan-3-amine
CID 63115206
3-Cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine
CID 63115207
N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 63115831
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine (CID 63115522) is 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine is NCCC(SC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is WPOUPUZEUKZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c10-9(11,12)8(5-6-13)14-7-3-1-2-4-7/h7-8H,1-6,13H2.
What are the key properties of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine?
3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 63115522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).