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

C15H23N3O3S2 — CID 47765378

IUPAC4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H23N3O3S2/c1-11-13-6-9-22-14(13)5-8-18(11)15(19)16-12-4-3-7-17(10-12)23(2,20)21/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,19)
InChIKeyZHODDLCDJZXXOB-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.80
Rot. Bonds2

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

4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 47765378) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID47765378
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H23N3O3S2/c1-11-13-6-9-22-14(13)5-8-18(11)15(19)16-12-4-3-7-17(10-12)23(2,20)21/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,19)
InChIKeyZHODDLCDJZXXOB-UHFFFAOYSA-N
XLogP1.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 47765378) is 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC1c2ccsc2CCN1C(=O)NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is ZHODDLCDJZXXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-11-13-6-9-22-14(13)5-8-18(11)15(19)16-12-4-3-7-17(10-12)23(2,20)21/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 47765378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).