N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide

C15H22N2O3S — CID 119818195

IUPACN-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide
SMILESCC(c1ccc(S(C)=O)cc1)N(C)C(=O)C1CNCCO1
InChIInChI=1S/C15H22N2O3S/c1-11(12-4-6-13(7-5-12)21(3)19)17(2)15(18)14-10-16-8-9-20-14/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyGTUGJVKKGYAHIS-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.93
Rot. Bonds4

About N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide

N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide (PubChem CID 119818195) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide
PubChem CID119818195
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide
SMILESCC(c1ccc(S(C)=O)cc1)N(C)C(=O)C1CNCCO1
InChIInChI=1S/C15H22N2O3S/c1-11(12-4-6-13(7-5-12)21(3)19)17(2)15(18)14-10-16-8-9-20-14/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyGTUGJVKKGYAHIS-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119705084
N-(2-hydroxypropyl)-N-methylmorpholine-2-carboxamide
CID 62333960
N-(4-ethylsulfanylbutan-2-yl)-N-methylmorpholine-2-carboxamide
CID 119817492
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N-(1-ethylsulfonylpropan-2-yl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119786370
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119717401
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553
N-methyl-N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119706070
N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
CID 115177410
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119752897

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide (CID 119818195) is N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide is CC(c1ccc(S(C)=O)cc1)N(C)C(=O)C1CNCCO1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is GTUGJVKKGYAHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(12-4-6-13(7-5-12)21(3)19)17(2)15(18)14-10-16-8-9-20-14/h4-7,11,14,16H,8-10H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide?
N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119818195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).