N-[4-(methylaminomethyl)phenyl]methanesulfonamide

C9H14N2O2S — CID 23545958

IUPACN-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-10-7-8-3-5-9(6-4-8)11-14(2,12)13/h3-6,10-11H,7H2,1-2H3
InChIKeyWIZHQDAIKWZKLS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.78
Rot. Bonds4

About N-[4-(methylaminomethyl)phenyl]methanesulfonamide

N-[4-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 23545958) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[4-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID23545958
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-10-7-8-3-5-9(6-4-8)11-14(2,12)13/h3-6,10-11H,7H2,1-2H3
InChIKeyWIZHQDAIKWZKLS-UHFFFAOYSA-N
XLogP0.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099
CID 90390717
CID 90390717
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(methylaminomethyl)phenyl]methanesulfonamide (CID 23545958) is N-[4-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(methylaminomethyl)phenyl]methanesulfonamide is CNCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is WIZHQDAIKWZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-7-8-3-5-9(6-4-8)11-14(2,12)13/h3-6,10-11H,7H2,1-2H3.
What are the key properties of N-[4-(methylaminomethyl)phenyl]methanesulfonamide?
N-[4-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 23545958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).