5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C16H23N5O2S2 — CID 71740606

IUPAC5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCS(=O)(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C16H23N5O2S2/c1-25(22,23)20-7-2-15(3-8-20)21-12-14(17-18-21)11-19-6-4-16-13(10-19)5-9-24-16/h5,9,12,15H,2-4,6-8,10-11H2,1H3
InChIKeyQFARJIKAPQQQGD-UHFFFAOYSA-N
MW381.53 g/mol
LogP1.49
Rot. Bonds4

About 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71740606) has the molecular formula C16H23N5O2S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71740606
Molecular FormulaC16H23N5O2S2
Molecular Weight381.53 g/mol
Exact Mass381.13
IUPAC Name5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCS(=O)(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C16H23N5O2S2/c1-25(22,23)20-7-2-15(3-8-20)21-12-14(17-18-21)11-19-6-4-16-13(10-19)5-9-24-16/h5,9,12,15H,2-4,6-8,10-11H2,1H3
InChIKeyQFARJIKAPQQQGD-UHFFFAOYSA-N
XLogP1.49
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71740606) is 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CS(=O)(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1.
What is the InChIKey of 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is QFARJIKAPQQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S2/c1-25(22,23)20-7-2-15(3-8-20)21-12-14(17-18-21)11-19-6-4-16-13(10-19)5-9-24-16/h5,9,12,15H,2-4,6-8,10-11H2,1H3.
What are the key properties of 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 381.53 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71740606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).