cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium

C19H23N2OS+ — CID 7416633

IUPACcyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
SMILESCc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)C[NH2+]C1CC1
InChIInChI=1S/C19H22N2OS/c1-13-4-2-3-5-15(13)19-16-9-11-23-17(16)8-10-21(19)18(22)12-20-14-6-7-14/h2-5,9,11,14,19-20H,6-8,10,12H2,1H3/p+1/t19-/m1/s1
InChIKeyMLWBSJDSJQSKIB-LJQANCHMSA-O
MW327.47 g/mol
LogP2.26
Rot. Bonds4

About cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium

cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium (PubChem CID 7416633) has the molecular formula C19H23N2OS+ and a molecular weight of 327.47 g/mol. Its IUPAC name is cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
PubChem CID7416633
Molecular FormulaC19H23N2OS+
Molecular Weight327.47 g/mol
Exact Mass327.15
IUPAC Namecyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
SMILESCc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)C[NH2+]C1CC1
InChIInChI=1S/C19H22N2OS/c1-13-4-2-3-5-15(13)19-16-9-11-23-17(16)8-10-21(19)18(22)12-20-14-6-7-14/h2-5,9,11,14,19-20H,6-8,10,12H2,1H3/p+1/t19-/m1/s1
InChIKeyMLWBSJDSJQSKIB-LJQANCHMSA-O
XLogP2.26
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium 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

butyl-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
CID 7495306
1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 7237818
2-(ethylamino)-1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7271417
2-methyl-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 808511
2-(cyclohexylamino)-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7397531
2-[[(2S)-butan-2-yl]amino]-1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283552
N-cyclopropyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 3560856
1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
CID 7360795
1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
CID 7360793
1-ethyl-3,3-dimethyl-1-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 3629901
N-cyclopropyl-3-methyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 3560861
N-ethyl-N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 7395908

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium (CID 7416633) is cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium is Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)C[NH2+]C1CC1.
What is the InChIKey of cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
The InChIKey is MLWBSJDSJQSKIB-LJQANCHMSA-O. The full InChI is InChI=1S/C19H22N2OS/c1-13-4-2-3-5-15(13)19-16-9-11-23-17(16)8-10-21(19)18(22)12-20-14-6-7-14/h2-5,9,11,14,19-20H,6-8,10,12H2,1H3/p+1/t19-/m1/s1.
What are the key properties of cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium has a molecular weight of 327.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium is sourced from PubChem (CID 7416633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).