N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide

C16H26N2O3S — CID 56754754

IUPACN-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCCc1ccccc1CN1CCOC(CCNS(C)(=O)=O)C1
InChIInChI=1S/C16H26N2O3S/c1-3-14-6-4-5-7-15(14)12-18-10-11-21-16(13-18)8-9-17-22(2,19)20/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyOHDSFWLFPIRGIQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.39
Rot. Bonds7

About N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide

N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide (PubChem CID 56754754) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide
PubChem CID56754754
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide
SMILESCCc1ccccc1CN1CCOC(CCNS(C)(=O)=O)C1
InChIInChI=1S/C16H26N2O3S/c1-3-14-6-4-5-7-15(14)12-18-10-11-21-16(13-18)8-9-17-22(2,19)20/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyOHDSFWLFPIRGIQ-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide
CID 56749618
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
1-ethyl-3-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]urea
CID 95197566
N-[2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 56705307
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide (CID 56754754) is N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide is CCc1ccccc1CN1CCOC(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
The InChIKey is OHDSFWLFPIRGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-14-6-4-5-7-15(14)12-18-10-11-21-16(13-18)8-9-17-22(2,19)20/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide?
N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56754754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).