N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine

C14H19F3N2S — CID 64621703

IUPACN-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2S/c1-2-18-11-5-3-4-6-12(11)20-13-8-7-10(9-19-13)14(15,16)17/h7-9,11-12,18H,2-6H2,1H3
InChIKeyYNSKRSYGZXAPLG-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.11
Rot. Bonds4

About N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine

N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine (PubChem CID 64621703) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine
PubChem CID64621703
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC NameN-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2S/c1-2-18-11-5-3-4-6-12(11)20-13-8-7-10(9-19-13)14(15,16)17/h7-9,11-12,18H,2-6H2,1H3
InChIKeyYNSKRSYGZXAPLG-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine (CID 64621703) is N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine is CCNC1CCCCC1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine?
The InChIKey is YNSKRSYGZXAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-2-18-11-5-3-4-6-12(11)20-13-8-7-10(9-19-13)14(15,16)17/h7-9,11-12,18H,2-6H2,1H3.
What are the key properties of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine?
N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine has a molecular weight of 304.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 64621703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).