2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine

C10H18F3NS — CID 103371683

IUPAC2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)9(5-14)7-15-6-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyZPAWGGFTZMFPDU-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.05
Rot. Bonds5

About 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine

2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103371683) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103371683
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)9(5-14)7-15-6-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyZPAWGGFTZMFPDU-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-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

[(4S)-3,4-dimethyl-5-(2,2,2-trifluoroethyl)thiolan-2-yl]methanamine
CID 173844600
2-(Cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine
CID 63119275
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-2-amine
CID 63119283
2-(Cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
CID 63119330
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine
CID 63120022
3-(Cyclopentylmethylsulfinyl)-4,4,4-trifluorobutan-1-amine
CID 81333902
2-(Cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371682
2-(Cyclopentylmethylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372553
2-(Cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372593
3-(4,4-Difluorothiolan-3-yl)propan-1-amine
CID 105439600

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103371683) is 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CSCC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZPAWGGFTZMFPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)9(5-14)7-15-6-8-3-1-2-4-8/h8-9H,1-7,14H2.
What are the key properties of 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103371683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).