[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C18H20N2OS — CID 24743354

IUPAC[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNC[C@@H]1C[C@@]1(C(=O)N1CCCc2ccccc21)c1ccsc1
InChIInChI=1S/C18H20N2OS/c19-11-15-10-18(15,14-7-9-22-12-14)17(21)20-8-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12,15H,3,5,8,10-11,19H2/t15-,18+/m0/s1
InChIKeyQSSYRFOLGZMPLN-MAUKXSAKSA-N
MW312.44 g/mol
LogP2.94
Rot. Bonds3

About [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 24743354) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID24743354
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNC[C@@H]1C[C@@]1(C(=O)N1CCCc2ccccc21)c1ccsc1
InChIInChI=1S/C18H20N2OS/c19-11-15-10-18(15,14-7-9-22-12-14)17(21)20-8-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12,15H,3,5,8,10-11,19H2/t15-,18+/m0/s1
InChIKeyQSSYRFOLGZMPLN-MAUKXSAKSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone 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

1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11566558
[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 44448357
N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]thiophene-3-carboxamide
CID 162668640
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 162675053
N-[4-(3,4-dihydro-1(2H)-quinolinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 2980459
(2-methyl-3,4-dihydroquinolin-1(2H)-yl)(thiophen-2-yl)methanone
CID 2928409
Thiophene-3-carboxylic acid [4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-amide
CID 10832492
2-methyl-1-(6-thiophen-2-yl-6H-phenanthridin-5-yl)pentan-1-one
CID 44593040
N-methyl-1-[[3-(thiophene-2-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 129625999
1-(Thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 16642529
3,4-dihydro-1(2H)-quinolinyl(2-thienyl)methanone
CID 750331

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 24743354) is [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is NC[C@@H]1C[C@@]1(C(=O)N1CCCc2ccccc21)c1ccsc1.
What is the InChIKey of [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QSSYRFOLGZMPLN-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H20N2OS/c19-11-15-10-18(15,14-7-9-22-12-14)17(21)20-8-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12,15H,3,5,8,10-11,19H2/t15-,18+/m0/s1.
What are the key properties of [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 312.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 24743354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).