1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide

C15H20N2O3S — CID 90513450

IUPAC1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1C
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-13(7-11(10)2)16-15(18)12-8-17(9-12)21(19,20)14-5-6-14/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyQOMWHOZMQDBXQB-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.67
Rot. Bonds4

About 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide (PubChem CID 90513450) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
PubChem CID90513450
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1C
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-13(7-11(10)2)16-15(18)12-8-17(9-12)21(19,20)14-5-6-14/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyQOMWHOZMQDBXQB-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513573
1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide
CID 90513449
1-cyclopropylsulfonyl-N-(4-methylsulfanylphenyl)azetidine-3-carboxamide
CID 90513272
(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
CID 118877225
N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513463
N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513431
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
(3S)-1-(4-bromophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 41302306
1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
CID 71785615
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 126395837

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide (CID 90513450) is 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide is Cc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1C.
What is the InChIKey of 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide?
The InChIKey is QOMWHOZMQDBXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-3-4-13(7-11(10)2)16-15(18)12-8-17(9-12)21(19,20)14-5-6-14/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).