[6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride

C9H17ClN2O2S — CID 69446492

IUPAC[6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride
SMILESCC1(CN)C=CC=CC1CS(N)(=O)=O.Cl
InChIInChI=1S/C9H16N2O2S.ClH/c1-9(7-10)5-3-2-4-8(9)6-14(11,12)13;/h2-5,8H,6-7,10H2,1H3,(H2,11,12,13);1H
InChIKeyWMAXLAGULZWNTJ-UHFFFAOYSA-N
MW252.77 g/mol
LogP0.40
Rot. Bonds3

About [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride

[6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride (PubChem CID 69446492) has the molecular formula C9H17ClN2O2S and a molecular weight of 252.77 g/mol. Its IUPAC name is [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name[6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride
PubChem CID69446492
Molecular FormulaC9H17ClN2O2S
Molecular Weight252.77 g/mol
Exact Mass252.07
IUPAC Name[6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride
SMILESCC1(CN)C=CC=CC1CS(N)(=O)=O.Cl
InChIInChI=1S/C9H16N2O2S.ClH/c1-9(7-10)5-3-2-4-8(9)6-14(11,12)13;/h2-5,8H,6-7,10H2,1H3,(H2,11,12,13);1H
InChIKeyWMAXLAGULZWNTJ-UHFFFAOYSA-N
XLogP0.40
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride?
The IUPAC name of [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride (CID 69446492) is [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride is CC1(CN)C=CC=CC1CS(N)(=O)=O.Cl.
What is the InChIKey of [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride?
The InChIKey is WMAXLAGULZWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S.ClH/c1-9(7-10)5-3-2-4-8(9)6-14(11,12)13;/h2-5,8H,6-7,10H2,1H3,(H2,11,12,13);1H.
What are the key properties of [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride?
[6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride has a molecular weight of 252.77 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 69446492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).