N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide

C13H18N2OS — CID 82908415

IUPACN-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
SMILESCc1cccc(N(C)C(=O)C2CSCCN2)c1
InChIInChI=1S/C13H18N2OS/c1-10-4-3-5-11(8-10)15(2)13(16)12-9-17-7-6-14-12/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyGGADNCYFQCYCFR-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.66
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide

N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82908415) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
PubChem CID82908415
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
SMILESCc1cccc(N(C)C(=O)C2CSCCN2)c1
InChIInChI=1S/C13H18N2OS/c1-10-4-3-5-11(8-10)15(2)13(16)12-9-17-7-6-14-12/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyGGADNCYFQCYCFR-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
2-[methyl(thiomorpholine-3-carbonyl)amino]benzoic acid
CID 82908223
N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908798
N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280852
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82915842
5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 75606273
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119937905
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide
CID 82897571
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide (CID 82908415) is N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide is Cc1cccc(N(C)C(=O)C2CSCCN2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is GGADNCYFQCYCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-4-3-5-11(8-10)15(2)13(16)12-9-17-7-6-14-12/h3-5,8,12,14H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide?
N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).