2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride

C17H26ClN3O2S — CID 119761388

IUPAC2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-12(11-18-3)16(21)19-15-6-4-5-14(13(15)2)17(22)20-7-9-23-10-8-20;/h4-6,12,18H,7-11H2,1-3H3,(H,19,21);1H
InChIKeyBKLHQBAPNICBFO-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.40
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119761388) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119761388
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-12(11-18-3)16(21)19-15-6-4-5-14(13(15)2)17(22)20-7-9-23-10-8-20;/h4-6,12,18H,7-11H2,1-3H3,(H,19,21);1H
InChIKeyBKLHQBAPNICBFO-UHFFFAOYSA-N
XLogP2.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;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

3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119761379
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196270
N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427451
2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119715817
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
trans-(1S,2S)-2-ethoxy-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 124628513
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119711940
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride (CID 119761388) is 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is BKLHQBAPNICBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c1-12(11-18-3)16(21)19-15-6-4-5-14(13(15)2)17(22)20-7-9-23-10-8-20;/h4-6,12,18H,7-11H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119761388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).