N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride

C19H29Cl2N3O2S — CID 69449207

IUPACN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NS(C)(=O)=O)cc1.Cl.Cl
InChIInChI=1S/C19H27N3O2S.2ClH/c1-12(2)10-17-16(11-20)18(15-8-6-13(3)7-9-15)19(14(4)21-17)22-25(5,23)24;;/h6-9,12,22H,10-11,20H2,1-5H3;2*1H
InChIKeyVXRIGTRHVSJNSM-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.24
Rot. Bonds6

About N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride

N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride (PubChem CID 69449207) has the molecular formula C19H29Cl2N3O2S and a molecular weight of 434.43 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride
PubChem CID69449207
Molecular FormulaC19H29Cl2N3O2S
Molecular Weight434.43 g/mol
Exact Mass433.14
IUPAC NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NS(C)(=O)=O)cc1.Cl.Cl
InChIInChI=1S/C19H27N3O2S.2ClH/c1-12(2)10-17-16(11-20)18(15-8-6-13(3)7-9-15)19(14(4)21-17)22-25(5,23)24;;/h6-9,12,22H,10-11,20H2,1-5H3;2*1H
InChIKeyVXRIGTRHVSJNSM-UHFFFAOYSA-N
XLogP4.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride?
The IUPAC name of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride (CID 69449207) is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride?
The canonical SMILES for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride is Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NS(C)(=O)=O)cc1.Cl.Cl.
What is the InChIKey of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride?
The InChIKey is VXRIGTRHVSJNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S.2ClH/c1-12(2)10-17-16(11-20)18(15-8-6-13(3)7-9-15)19(14(4)21-17)22-25(5,23)24;;/h6-9,12,22H,10-11,20H2,1-5H3;2*1H.
What are the key properties of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride?
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride has a molecular weight of 434.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 69449207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).