1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide

C9H14N2O2S — CID 47002560

IUPAC1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C9H14N2O2S/c1-11-14(12,13)7-9-4-2-3-8(5-9)6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyUHEWDCABYAJHHW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.19
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide

1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 47002560) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID47002560
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C9H14N2O2S/c1-11-14(12,13)7-9-4-2-3-8(5-9)6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyUHEWDCABYAJHHW-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-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
1-[3-(aminomethyl)phenyl]-N-(2-methyl-2-methylsulfonylpropyl)methanesulfonamide
CID 79562254
1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
CID 106217431
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide
CID 106275923
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 106083603
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide (CID 47002560) is 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is UHEWDCABYAJHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11-14(12,13)7-9-4-2-3-8(5-9)6-10/h2-5,11H,6-7,10H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide 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 1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 47002560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).