N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C15H20F3N3OS — CID 94119356

IUPACN-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCc2sccc2C1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)10-20-4-1-11(8-20)7-19-14(22)21-5-2-13-12(9-21)3-6-23-13/h3,6,11H,1-2,4-5,7-10H2,(H,19,22)/t11-/m0/s1
InChIKeyYAKAIIIYWACTGL-NSHDSACASA-N
MW347.41 g/mol
LogP2.70
Rot. Bonds3

About N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 94119356) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID94119356
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC NameN-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCc2sccc2C1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)10-20-4-1-11(8-20)7-19-14(22)21-5-2-13-12(9-21)3-6-23-13/h3,6,11H,1-2,4-5,7-10H2,(H,19,22)/t11-/m0/s1
InChIKeyYAKAIIIYWACTGL-NSHDSACASA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 94119356) is N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCc2sccc2C1.
What is the InChIKey of N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is YAKAIIIYWACTGL-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3N3OS/c16-15(17,18)10-20-4-1-11(8-20)7-19-14(22)21-5-2-13-12(9-21)3-6-23-13/h3,6,11H,1-2,4-5,7-10H2,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 94119356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).