1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile

C14H16F3N3S — CID 79577842

IUPAC1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)11-3-4-12(20-8-11)21-7-5-10-2-1-6-13(10,19)9-18/h3-4,8,10H,1-2,5-7,19H2
InChIKeyWLICQPJKWKXVKD-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.60
Rot. Bonds4

About 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79577842) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile
PubChem CID79577842
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)11-3-4-12(20-8-11)21-7-5-10-2-1-6-13(10,19)9-18/h3-4,8,10H,1-2,5-7,19H2
InChIKeyWLICQPJKWKXVKD-UHFFFAOYSA-N
XLogP3.60
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile (CID 79577842) is 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is WLICQPJKWKXVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c15-14(16,17)11-3-4-12(20-8-11)21-7-5-10-2-1-6-13(10,19)9-18/h3-4,8,10H,1-2,5-7,19H2.
What are the key properties of 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 315.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).