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

C11H12F3N3S — CID 103422905

IUPAC3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
SMILESN#Cc1sc(N2CCC(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H12F3N3S/c12-11(13,14)7-1-3-17(4-2-7)10-5-8(16)9(6-15)18-10/h5,7H,1-4,16H2
InChIKeyINBPWPBYPNZGCA-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.98
Rot. Bonds1

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

3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile (PubChem CID 103422905) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
PubChem CID103422905
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile
SMILESN#Cc1sc(N2CCC(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H12F3N3S/c12-11(13,14)7-1-3-17(4-2-7)10-5-8(16)9(6-15)18-10/h5,7H,1-4,16H2
InChIKeyINBPWPBYPNZGCA-UHFFFAOYSA-N
XLogP2.98
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile (CID 103422905) is 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile is N#Cc1sc(N2CCC(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
The InChIKey is INBPWPBYPNZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c12-11(13,14)7-1-3-17(4-2-7)10-5-8(16)9(6-15)18-10/h5,7H,1-4,16H2.
What are the key properties of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile?
3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile has a molecular weight of 275.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 103422905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).