1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide

C11H16N2O2S — CID 115071249

IUPAC1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCN2)cc1
InChIInChI=1S/C11H16N2O2S/c1-9-2-4-10(5-3-9)13-16(14,15)8-11-6-7-12-11/h2-5,11-13H,6-8H2,1H3
InChIKeyPFDQEIKBEOKZOP-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.10
Rot. Bonds4

About 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide

1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide (PubChem CID 115071249) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
PubChem CID115071249
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCN2)cc1
InChIInChI=1S/C11H16N2O2S/c1-9-2-4-10(5-3-9)13-16(14,15)8-11-6-7-12-11/h2-5,11-13H,6-8H2,1H3
InChIKeyPFDQEIKBEOKZOP-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-2-yl)-N-(3-chlorophenyl)methanesulfonamide
CID 115071237
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
CID 115071321
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972264
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
[(2R)-azetidin-2-yl]methyl 4-methylbenzenesulfonate
CID 174643912
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
CID 115071276
N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 65450515
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide (CID 115071249) is 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide is Cc1ccc(NS(=O)(=O)CC2CCN2)cc1.
What is the InChIKey of 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is PFDQEIKBEOKZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-2-4-10(5-3-9)13-16(14,15)8-11-6-7-12-11/h2-5,11-13H,6-8H2,1H3.
What are the key properties of 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide?
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 115071249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).