1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide

C11H16N2O3S — CID 115071276

IUPAC1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCN1)NCc1ccccc1O
InChIInChI=1S/C11H16N2O3S/c14-11-4-2-1-3-9(11)7-13-17(15,16)8-10-5-6-12-10/h1-4,10,12-14H,5-8H2
InChIKeyJAGTUDZKHUUAFA-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.17
Rot. Bonds5

About 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide

1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide (PubChem CID 115071276) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
PubChem CID115071276
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCN1)NCc1ccccc1O
InChIInChI=1S/C11H16N2O3S/c14-11-4-2-1-3-9(11)7-13-17(15,16)8-10-5-6-12-10/h1-4,10,12-14H,5-8H2
InChIKeyJAGTUDZKHUUAFA-UHFFFAOYSA-N
XLogP0.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
CID 115071274
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-[(2-hydroxyphenyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 113240012
2-[2-(2-fluorophenyl)ethylsulfonylmethyl]azetidine
CID 115071172
2-[2-(2-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071174
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
1-(azetidin-2-yl)-N-(3-chlorophenyl)methanesulfonamide
CID 115071237

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide (CID 115071276) is 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide is O=S(=O)(CC1CCN1)NCc1ccccc1O.
What is the InChIKey of 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide?
The InChIKey is JAGTUDZKHUUAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-11-4-2-1-3-9(11)7-13-17(15,16)8-10-5-6-12-10/h1-4,10,12-14H,5-8H2.
What are the key properties of 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide?
1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 115071276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).