2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

C12H21F3N2OS — CID 120914007

IUPAC2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESFC(F)(F)SCCNC1CCCC1C1COCCN1
InChIInChI=1S/C12H21F3N2OS/c13-12(14,15)19-7-5-17-10-3-1-2-9(10)11-8-18-6-4-16-11/h9-11,16-17H,1-8H2
InChIKeyHGYULPKPPPNKMC-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.99
Rot. Bonds5

About 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 120914007) has the molecular formula C12H21F3N2OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID120914007
Molecular FormulaC12H21F3N2OS
Molecular Weight298.37 g/mol
Exact Mass298.13
IUPAC Name2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESFC(F)(F)SCCNC1CCCC1C1COCCN1
InChIInChI=1S/C12H21F3N2OS/c13-12(14,15)19-7-5-17-10-3-1-2-9(10)11-8-18-6-4-16-11/h9-11,16-17H,1-8H2
InChIKeyHGYULPKPPPNKMC-UHFFFAOYSA-N
XLogP1.99
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 106426945
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427092
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
1,1,1-trifluoro-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-2-ol;hydrochloride
CID 120916188
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915656
N-(2-tert-butylsulfonylethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916306
N-(cyclohexylmethyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120914381
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 120914013
N-(2-methylsulfanylpropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120916191

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (CID 120914007) is 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is FC(F)(F)SCCNC1CCCC1C1COCCN1.
What is the InChIKey of 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is HGYULPKPPPNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2OS/c13-12(14,15)19-7-5-17-10-3-1-2-9(10)11-8-18-6-4-16-11/h9-11,16-17H,1-8H2.
What are the key properties of 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 298.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 120914007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).