6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

C13H22N4O2S — CID 114613614

IUPAC6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H22N4O2S/c1-16-7-3-4-12(16)10-17(2)20(18,19)13-6-5-11(8-14)15-9-13/h5-6,9,12H,3-4,7-8,10,14H2,1-2H3
InChIKeyVONXTCDDQOTWBW-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.25
Rot. Bonds5

About 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 114613614) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID114613614
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H22N4O2S/c1-16-7-3-4-12(16)10-17(2)20(18,19)13-6-5-11(8-14)15-9-13/h5-6,9,12H,3-4,7-8,10,14H2,1-2H3
InChIKeyVONXTCDDQOTWBW-UHFFFAOYSA-N
XLogP0.25
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 79319842
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
3-amino-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303402
5-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 79317578
3-(chloromethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79308821
6-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 114613188
3-amino-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303400
2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 128852399
2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 79319040
5-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 79317908
2-amino-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303401
5-(chloromethyl)-N,1-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-sulfonamide
CID 79318149

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (CID 114613614) is 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is CN1CCCC1CN(C)S(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is VONXTCDDQOTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16-7-3-4-12(16)10-17(2)20(18,19)13-6-5-11(8-14)15-9-13/h5-6,9,12H,3-4,7-8,10,14H2,1-2H3.
What are the key properties of 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).