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

C13H18N2O2S — CID 94124241

IUPACN-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCc2sccc2C1
InChIInChI=1S/C13H18N2O2S/c16-13(14-7-10-2-5-17-9-10)15-4-1-12-11(8-15)3-6-18-12/h3,6,10H,1-2,4-5,7-9H2,(H,14,16)/t10-/m0/s1
InChIKeyRKDIEHOCXFBQPM-JTQLQIEISA-N
MW266.37 g/mol
LogP1.85
Rot. Bonds2

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

N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 94124241) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID94124241
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCc2sccc2C1
InChIInChI=1S/C13H18N2O2S/c16-13(14-7-10-2-5-17-9-10)15-4-1-12-11(8-15)3-6-18-12/h3,6,10H,1-2,4-5,7-9H2,(H,14,16)/t10-/m0/s1
InChIKeyRKDIEHOCXFBQPM-JTQLQIEISA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94119525
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115889297
3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381622
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94124343
N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 129368211
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone
CID 136586090
N-(oxolan-3-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 75690987
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
N-(1-acetylpiperidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 138994042
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084885

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 94124241) is N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NC[C@@H]1CCOC1)N1CCc2sccc2C1.
What is the InChIKey of N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is RKDIEHOCXFBQPM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-13(14-7-10-2-5-17-9-10)15-4-1-12-11(8-15)3-6-18-12/h3,6,10H,1-2,4-5,7-9H2,(H,14,16)/t10-/m0/s1.
What are the key properties of N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 94124241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).