3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile

C14H16F3N3S — CID 103422874

IUPAC3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
SMILESN#Cc1sc(N2CCCC(C(F)(F)F)C2)c(C2CC2)c1N
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)9-2-1-5-20(7-9)13-11(8-3-4-8)12(19)10(6-18)21-13/h8-9H,1-5,7,19H2
InChIKeyVAAUIRRVZWUNJB-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.86
Rot. Bonds2

About 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile

3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile (PubChem CID 103422874) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
PubChem CID103422874
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
SMILESN#Cc1sc(N2CCCC(C(F)(F)F)C2)c(C2CC2)c1N
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)9-2-1-5-20(7-9)13-11(8-3-4-8)12(19)10(6-18)21-13/h8-9H,1-5,7,19H2
InChIKeyVAAUIRRVZWUNJB-UHFFFAOYSA-N
XLogP3.86
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419822
3-Amino-4-cyclopropyl-5-[(2,5-difluorophenyl)methylamino]thiophene-2-carbonitrile
CID 103417621
3-Amino-4-cyclopropyl-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carbonitrile
CID 103418149
3-Amino-4-cyclopropyl-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carbonitrile
CID 103420732
3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421855
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarbonitrile
CID 103422817
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carbonitrile
CID 103422832
3-Amino-4-methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422868
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422870
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422883
3-Amino-4-methylsulfanyl-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
CID 103422890
3-Amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile (CID 103422874) is 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile is N#Cc1sc(N2CCCC(C(F)(F)F)C2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
The InChIKey is VAAUIRRVZWUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c15-14(16,17)9-2-1-5-20(7-9)13-11(8-3-4-8)12(19)10(6-18)21-13/h8-9H,1-5,7,19H2.
What are the key properties of 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile has a molecular weight of 315.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 103422874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).