N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide

C14H20N2O4S — CID 51087827

IUPACN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-12(14(17)16-7-9-20-10-8-16)15-21(18,19)11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyHNZWHDCYYQGJJX-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.35
Rot. Bonds5

About N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide

N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide (PubChem CID 51087827) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
PubChem CID51087827
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-12(14(17)16-7-9-20-10-8-16)15-21(18,19)11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyHNZWHDCYYQGJJX-UHFFFAOYSA-N
XLogP0.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2S)-2-(benzylsulfonylamino)propanoyl]piperazine-1-carboxylate
CID 110348540
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
CID 110285627
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-phenylbenzenesulfonamide
CID 86864071
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
CID 95302963
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
2-anilino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 115673259
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide (CID 51087827) is N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide is CC(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide?
The InChIKey is HNZWHDCYYQGJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-12(14(17)16-7-9-20-10-8-16)15-21(18,19)11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide?
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 51087827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).