2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C14H19N3O5S2 — CID 95190215

IUPAC2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1
InChIInChI=1S/C14H19N3O5S2/c15-12(18)8-2-1-5-17(7-8)24(21,22)14-11(13(19)20)9-3-4-16-6-10(9)23-14/h8,16H,1-7H2,(H2,15,18)(H,19,20)/t8-/m1/s1
InChIKeyROIKITDZQJVQHN-MRVPVSSYSA-N
MW373.46 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 95190215) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID95190215
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC Name2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1
InChIInChI=1S/C14H19N3O5S2/c15-12(18)8-2-1-5-17(7-8)24(21,22)14-11(13(19)20)9-3-4-16-6-10(9)23-14/h8,16H,1-7H2,(H2,15,18)(H,19,20)/t8-/m1/s1
InChIKeyROIKITDZQJVQHN-MRVPVSSYSA-N
XLogP-0.02
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56705550
2-[(3S)-3-(ethylcarbamoyl)pyrrolidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 95216701
2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56760706
2-[(3R)-3-propoxypiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 95207990
2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 95213715
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56742826
2-(3-ethyl-3-hydroxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56753279
2-[(4-hydroxycyclohexyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56703465
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 43132258
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 95190215) is 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is NC(=O)[C@@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1.
What is the InChIKey of 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is ROIKITDZQJVQHN-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c15-12(18)8-2-1-5-17(7-8)24(21,22)14-11(13(19)20)9-3-4-16-6-10(9)23-14/h8,16H,1-7H2,(H2,15,18)(H,19,20)/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 373.46 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-carbamoylpiperidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 95190215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).