N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C8H14F3NS — CID 106212198

IUPACN-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCSCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-2-13-6-5-12-7(3-4-7)8(9,10)11/h12H,2-6H2,1H3
InChIKeyXMJMXJYGSCNBBP-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.42
Rot. Bonds5

About N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212198) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212198
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC NameN-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCSCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-2-13-6-5-12-7(3-4-7)8(9,10)11/h12H,2-6H2,1H3
InChIKeyXMJMXJYGSCNBBP-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212198) is N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine is CCSCCNC1(C(F)(F)F)CC1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is XMJMXJYGSCNBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-2-13-6-5-12-7(3-4-7)8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).