(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride

C14H21ClN2OS — CID 120634085

IUPAC(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCSC(C)C1C.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-9-4-5-12(15)8-13(9)14(17)16-6-7-18-11(3)10(16)2;/h4-5,8,10-11H,6-7,15H2,1-3H3;1H
InChIKeyLKGCOGXPGQDBQV-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.97
Rot. Bonds1

About (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride

(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 120634085) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride
PubChem CID120634085
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCSC(C)C1C.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-9-4-5-12(15)8-13(9)14(17)16-6-7-18-11(3)10(16)2;/h4-5,8,10-11H,6-7,15H2,1-3H3;1H
InChIKeyLKGCOGXPGQDBQV-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride 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

(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 113238099
(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
CID 115634458
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(5-amino-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102777011
(4-bromo-2-fluorophenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 113238113
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 106854402
(5-amino-2-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 61289860
(5-amino-2-methylphenyl)-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120636748
(5-amino-2-methylphenyl)-(2,6-dimethylazepan-1-yl)methanone
CID 120634133
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120622196

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride (CID 120634085) is (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride is Cc1ccc(N)cc1C(=O)N1CCSC(C)C1C.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is LKGCOGXPGQDBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-9-4-5-12(15)8-13(9)14(17)16-6-7-18-11(3)10(16)2;/h4-5,8,10-11H,6-7,15H2,1-3H3;1H.
What are the key properties of (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride?
(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120634085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).