(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid

C15H17NO3S — CID 66262994

IUPAC(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C15H17NO3S/c17-14(16-8-4-3-6-11(16)15(18)19)13-9-10-5-1-2-7-12(10)20-13/h1-2,5,7,11,13H,3-4,6,8-9H2,(H,18,19)/t11-,13?/m0/s1
InChIKeyKAYFOTMPGOBHEC-AMGKYWFPSA-N
MW291.37 g/mol
LogP2.17
Rot. Bonds2

About (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66262994) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID66262994
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C15H17NO3S/c17-14(16-8-4-3-6-11(16)15(18)19)13-9-10-5-1-2-7-12(10)20-13/h1-2,5,7,11,13H,3-4,6,8-9H2,(H,18,19)/t11-,13?/m0/s1
InChIKeyKAYFOTMPGOBHEC-AMGKYWFPSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylate
CID 79835980
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carbothioamide
CID 79215742
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364209
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
2,3-dihydro-1-benzothiophen-2-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 24645948
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
CID 130171257
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917621
2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone
CID 56811972
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720284
(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 51888539

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid (CID 66262994) is (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)C1Cc2ccccc2S1.
What is the InChIKey of (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is KAYFOTMPGOBHEC-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-14(16-8-4-3-6-11(16)15(18)19)13-9-10-5-1-2-7-12(10)20-13/h1-2,5,7,11,13H,3-4,6,8-9H2,(H,18,19)/t11-,13?/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66262994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).