N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide

C9H14N2O2S — CID 62949532

IUPACN-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1CN
InChIInChI=1S/C9H14N2O2S/c1-14(12,13)11-7-9-5-3-2-4-8(9)6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyZXFKXEKQLVITLT-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.19
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide

N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide (PubChem CID 62949532) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
PubChem CID62949532
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1CN
InChIInChI=1S/C9H14N2O2S/c1-14(12,13)11-7-9-5-3-2-4-8(9)6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyZXFKXEKQLVITLT-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
2-(methanesulfonamidomethyl)benzamide
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N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide
CID 3329133
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
CID 114464725
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311
N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103951424
N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide
CID 55157164
CID 70601747
CID 70601747
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
CID 62949723

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide (CID 62949532) is N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is ZXFKXEKQLVITLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-14(12,13)11-7-9-5-3-2-4-8(9)6-10/h2-5,11H,6-7,10H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 62949532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).