(7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C17H21N3O2S — CID 22083367

IUPAC(7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESC[C@@H](c1ccccc1)N1CCc2c(sc(N)c2C(=O)O)[C@@H]1CN
InChIInChI=1S/C17H21N3O2S/c1-10(11-5-3-2-4-6-11)20-8-7-12-14(17(21)22)16(19)23-15(12)13(20)9-18/h2-6,10,13H,7-9,18-19H2,1H3,(H,21,22)/t10-,13-/m0/s1
InChIKeySOLABLLRLULQLI-GWCFXTLKSA-N
MW331.44 g/mol
LogP2.65
Rot. Bonds4

About (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

(7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 22083367) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID22083367
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESC[C@@H](c1ccccc1)N1CCc2c(sc(N)c2C(=O)O)[C@@H]1CN
InChIInChI=1S/C17H21N3O2S/c1-10(11-5-3-2-4-6-11)20-8-7-12-14(17(21)22)16(19)23-15(12)13(20)9-18/h2-6,10,13H,7-9,18-19H2,1H3,(H,21,22)/t10-,13-/m0/s1
InChIKeySOLABLLRLULQLI-GWCFXTLKSA-N
XLogP2.65
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 22083367) is (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is C[C@@H](c1ccccc1)N1CCc2c(sc(N)c2C(=O)O)[C@@H]1CN.
What is the InChIKey of (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is SOLABLLRLULQLI-GWCFXTLKSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10(11-5-3-2-4-6-11)20-8-7-12-14(17(21)22)16(19)23-15(12)13(20)9-18/h2-6,10,13H,7-9,18-19H2,1H3,(H,21,22)/t10-,13-/m0/s1.
What are the key properties of (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
(7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 331.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 22083367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).