N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

C14H19F3N2S — CID 102709683

IUPACN-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C(F)(F)F)C1CCSC1
InChIInChI=1S/C14H19F3N2S/c1-2-5-19-13(10-4-7-20-9-10)11-8-18-6-3-12(11)14(15,16)17/h3,6,8,10,13,19H,2,4-5,7,9H2,1H3
InChIKeyNJNPEAPPMCOTLE-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.89
Rot. Bonds5

About N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 102709683) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID102709683
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC NameN-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C(F)(F)F)C1CCSC1
InChIInChI=1S/C14H19F3N2S/c1-2-5-19-13(10-4-7-20-9-10)11-8-18-6-3-12(11)14(15,16)17/h3,6,8,10,13,19H,2,4-5,7,9H2,1H3
InChIKeyNJNPEAPPMCOTLE-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710499
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 107291699
N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
CID 107133293
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978
N-[thiolan-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 105145863
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708274
N-[(4-bromothiophen-3-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105166760

Frequently Asked Questions

What is the IUPAC name of N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (CID 102709683) is N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is CCCNC(c1cnccc1C(F)(F)F)C1CCSC1.
What is the InChIKey of N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is NJNPEAPPMCOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-2-5-19-13(10-4-7-20-9-10)11-8-18-6-3-12(11)14(15,16)17/h3,6,8,10,13,19H,2,4-5,7,9H2,1H3.
What are the key properties of N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 304.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 102709683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).