1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide

C15H21N3O4S — CID 90513233

IUPAC1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C15H21N3O4S/c1-23(20,21)18-10-12(11-18)15(19)16-13-2-4-14(5-3-13)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3,(H,16,19)
InChIKeyHRSQZHVWNFRMBW-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.35
Rot. Bonds4

About 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide

1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide (PubChem CID 90513233) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
PubChem CID90513233
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C15H21N3O4S/c1-23(20,21)18-10-12(11-18)15(19)16-13-2-4-14(5-3-13)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3,(H,16,19)
InChIKeyHRSQZHVWNFRMBW-UHFFFAOYSA-N
XLogP0.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 100525168
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945875
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-(4-cyanophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513246
(3S)-N-(4-morpholin-4-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41083967
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511231
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894
(3R)-1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006945
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide (CID 90513233) is 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)Nc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide?
The InChIKey is HRSQZHVWNFRMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-23(20,21)18-10-12(11-18)15(19)16-13-2-4-14(5-3-13)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3,(H,16,19).
What are the key properties of 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide?
1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).