N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide

C15H22N2O4S — CID 95119028

IUPACN-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1cccc(N([C@@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-12-5-4-6-14(11-12)17(22(3,19)20)13(2)15(18)16-7-9-21-10-8-16/h4-6,11,13H,7-10H2,1-3H3/t13-/m0/s1
InChIKeyKEGBBLOSUBXBFH-ZDUSSCGKSA-N
MW326.42 g/mol
LogP1.01
Rot. Bonds4

About N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide

N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 95119028) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
PubChem CID95119028
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1cccc(N([C@@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-12-5-4-6-14(11-12)17(22(3,19)20)13(2)15(18)16-7-9-21-10-8-16/h4-6,11,13H,7-10H2,1-3H3/t13-/m0/s1
InChIKeyKEGBBLOSUBXBFH-ZDUSSCGKSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 961816
1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95119036
N-(3-methylphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 50946741
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785
N-(4-ethylphenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)methanesulfonamide
CID 50944900
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1076298
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95196387
N-(3-methylphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95118898
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95118493
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide (CID 95119028) is N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide is Cc1cccc(N([C@@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is KEGBBLOSUBXBFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-5-4-6-14(11-12)17(22(3,19)20)13(2)15(18)16-7-9-21-10-8-16/h4-6,11,13H,7-10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 95119028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).