N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide

C14H22N2O3S — CID 128977205

IUPACN-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide
SMILESCCN1CCO[C@@H](CNS(C)(=O)=O)[C@@H]1c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-3-16-9-10-19-13(11-15-20(2,17)18)14(16)12-7-5-4-6-8-12/h4-8,13-15H,3,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyXQHKTWBBTWPJBR-KBPBESRZSA-N
MW298.41 g/mol
LogP1.00
Rot. Bonds5

About N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide

N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide (PubChem CID 128977205) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide
PubChem CID128977205
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide
SMILESCCN1CCO[C@@H](CNS(C)(=O)=O)[C@@H]1c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-3-16-9-10-19-13(11-15-20(2,17)18)14(16)12-7-5-4-6-8-12/h4-8,13-15H,3,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyXQHKTWBBTWPJBR-KBPBESRZSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 128979293
1-(1,5-dimethyltriazol-4-yl)-3-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]urea
CID 131962873
N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-1-[(2S)-pyrrolidin-2-yl]propan-1-amine
CID 167821379
1-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 126821159
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030
N-[2-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 95974846
1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine
CID 106889425
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
3-butyl-2-phenyl-1,3-oxazolidine
CID 17386684

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide (CID 128977205) is N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide is CCN1CCO[C@@H](CNS(C)(=O)=O)[C@@H]1c1ccccc1.
What is the InChIKey of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is XQHKTWBBTWPJBR-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16-9-10-19-13(11-15-20(2,17)18)14(16)12-7-5-4-6-8-12/h4-8,13-15H,3,9-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide?
N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 128977205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).