[3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride

C9H15ClN2O2S — CID 69446496

IUPAC[3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride
SMILESCc1c(CN)cccc1CS(N)(=O)=O.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-7-8(5-10)3-2-4-9(7)6-14(11,12)13;/h2-4H,5-6,10H2,1H3,(H2,11,12,13);1H
InChIKeyACTQTGIRQGEUBM-UHFFFAOYSA-N
MW250.75 g/mol
LogP0.66
Rot. Bonds3

About [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride

[3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride (PubChem CID 69446496) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride
PubChem CID69446496
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC Name[3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride
SMILESCc1c(CN)cccc1CS(N)(=O)=O.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-7-8(5-10)3-2-4-9(7)6-14(11,12)13;/h2-4H,5-6,10H2,1H3,(H2,11,12,13);1H
InChIKeyACTQTGIRQGEUBM-UHFFFAOYSA-N
XLogP0.66
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
(2,6-dimethylphenyl)methanesulfonamide
CID 23161120
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
[2,3-bis(methylsulfonyl)phenyl]methanamine
CID 117412708
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
CID 106007221
[2-fluoro-3-[(2-methylphenyl)methylsulfonylmethyl]phenyl]methanamine
CID 107120125
[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106089284

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride (CID 69446496) is [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride is Cc1c(CN)cccc1CS(N)(=O)=O.Cl.
What is the InChIKey of [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride?
The InChIKey is ACTQTGIRQGEUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c1-7-8(5-10)3-2-4-9(7)6-14(11,12)13;/h2-4H,5-6,10H2,1H3,(H2,11,12,13);1H.
What are the key properties of [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride?
[3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 69446496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).