N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide

C13H20N2O3S — CID 63247176

IUPACN-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H20N2O3S/c1-14-9-11-5-2-3-7-13(11)15-19(16,17)10-12-6-4-8-18-12/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3
InChIKeyGUCAUOPGYRLNRX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.33
Rot. Bonds6

About N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide

N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247176) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247176
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H20N2O3S/c1-14-9-11-5-2-3-7-13(11)15-19(16,17)10-12-6-4-8-18-12/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3
InChIKeyGUCAUOPGYRLNRX-UHFFFAOYSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246993
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide (CID 63247176) is N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide is CNCc1ccccc1NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is GUCAUOPGYRLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-9-11-5-2-3-7-13(11)15-19(16,17)10-12-6-4-8-18-12/h2-3,5,7,12,14-15H,4,6,8-10H2,1H3.
What are the key properties of N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).