(2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide

C16H24N2O4S — CID 124850865

IUPAC(2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1
InChIInChI=1S/C16H24N2O4S/c1-14-13-18(9-10-22-14)16(19)17-8-12-23(20,21)11-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyRFOMLIXDVHCYLB-AWEZNQCLSA-N
MW340.44 g/mol
LogP1.07
Rot. Bonds6

About (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide

(2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide (PubChem CID 124850865) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide
PubChem CID124850865
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1
InChIInChI=1S/C16H24N2O4S/c1-14-13-18(9-10-22-14)16(19)17-8-12-23(20,21)11-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyRFOMLIXDVHCYLB-AWEZNQCLSA-N
XLogP1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylbenzyl)sulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 3237976
2-(Benzylsulfonyl)-1-(2,6-dimethylmorpholino)-1-ethanone
CID 2767202
2-(benzylthio)-N-[3-(4-morpholinyl)propyl]acetamide
CID 2986818
2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide
CID 2725855
ethyl N-[(3-{[(benzylsulfonyl)amino]methyl}-1-piperidinyl)carbonyl]glycinate
CID 16189562
3-[(2-methylphenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 16003190
4-(methylsulfonyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 71805735
4-(2-Methoxyethyl)-3-oxo-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 1-oxide
CID 91909786
(1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1lambda4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 99763040
N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methyl]-2-(ethoxymethyl)morpholine-4-carboxamide
CID 132368700
N-benzyl-9,9-dioxo-1-oxa-9lambda6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138009908
3-[(2-fluorophenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide
CID 4148312

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide (CID 124850865) is (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1.
What is the InChIKey of (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide?
The InChIKey is RFOMLIXDVHCYLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-14-13-18(9-10-22-14)16(19)17-8-12-23(20,21)11-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide?
(2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 124850865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).