N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride

C12H17ClN2O2S — CID 119674752

IUPACN-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCSc1ccccc1NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H16N2O2S.ClH/c1-17-11-5-3-2-4-9(11)14-12(15)10-8-13-6-7-16-10;/h2-5,10,13H,6-8H2,1H3,(H,14,15);1H
InChIKeyZRTOEZHJQACHJU-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.76
Rot. Bonds3

About N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride

N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119674752) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119674752
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCSc1ccccc1NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H16N2O2S.ClH/c1-17-11-5-3-2-4-9(11)14-12(15)10-8-13-6-7-16-10;/h2-5,10,13H,6-8H2,1H3,(H,14,15);1H
InChIKeyZRTOEZHJQACHJU-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;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

N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride
CID 119773468
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-[2-(1-phenylethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792514
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119736053
N-(2-fluoro-4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675290
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride (CID 119674752) is N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride is CSc1ccccc1NC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is ZRTOEZHJQACHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S.ClH/c1-17-11-5-3-2-4-9(11)14-12(15)10-8-13-6-7-16-10;/h2-5,10,13H,6-8H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride?
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 288.80 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119674752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).