N-[3-(aminomethyl)phenyl]methanesulfonamide

C8H12N2O2S — CID 10495443

IUPACN-[3-(aminomethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN)c1
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3
InChIKeyFPVJHDMFGIXROX-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.52
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]methanesulfonamide

N-[3-(aminomethyl)phenyl]methanesulfonamide (PubChem CID 10495443) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]methanesulfonamide
PubChem CID10495443
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[3-(aminomethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN)c1
InChIInChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3
InChIKeyFPVJHDMFGIXROX-UHFFFAOYSA-N
XLogP0.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317
1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
CID 28783219
N-[3-(3-oxopropyl)phenyl]methanesulfonamide
CID 57444373
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
CID 63254571
N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 174728615
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid
CID 119350188

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]methanesulfonamide (CID 10495443) is N-[3-(aminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]methanesulfonamide?
The InChIKey is FPVJHDMFGIXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]methanesulfonamide?
N-[3-(aminomethyl)phenyl]methanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 10495443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).