1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol

C9H16F3NOS — CID 116615608

IUPAC1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-6-5-13-7-8(14)3-1-2-4-8/h13-14H,1-7H2
InChIKeyUIWSOMJDOJEOLB-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.13
Rot. Bonds5

About 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol

1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 116615608) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID116615608
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-6-5-13-7-8(14)3-1-2-4-8/h13-14H,1-7H2
InChIKeyUIWSOMJDOJEOLB-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,3,3-Trifluoropropylamino)methyl]cyclopentan-1-ol
CID 65108895
1-[(2,2-Difluoroethylamino)methyl]cyclopentan-1-ol
CID 65109046
2-Methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 106293157
N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886513
1-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]cycloheptan-1-ol
CID 113543860
1-[(4,4,4-Trifluorobutylamino)methyl]cyclopentan-1-ol
CID 115513758
1-[(5,5,5-Trifluoropentylamino)methyl]cyclopentan-1-ol
CID 115519060
[1-[2-(Trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
CID 116615534
3-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]pentan-3-ol
CID 116615607
1-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
CID 116615609
2,4-Dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 116615640
1-[[Methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 116628315

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol (CID 116615608) is 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol is OC1(CNCCSC(F)(F)F)CCCC1.
What is the InChIKey of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is UIWSOMJDOJEOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c10-9(11,12)15-6-5-13-7-8(14)3-1-2-4-8/h13-14H,1-7H2.
What are the key properties of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol?
1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 243.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 116615608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).