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

C13H22N4O2S — CID 63274885

IUPACN-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)CC2CCN(C)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-14-13-5-4-12(8-15-13)20(18,19)17(3)10-11-6-7-16(2)9-11/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,14,15)
InChIKeyOSJZPTAQXOKOQQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.70
Rot. Bonds5

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

N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 63274885) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID63274885
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)CC2CCN(C)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-14-13-5-4-12(8-15-13)20(18,19)17(3)10-11-6-7-16(2)9-11/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,14,15)
InChIKeyOSJZPTAQXOKOQQ-UHFFFAOYSA-N
XLogP0.70
TPSA65.54 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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (CID 63274885) is N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)N(C)CC2CCN(C)C2)cn1.
What is the InChIKey of N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is OSJZPTAQXOKOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-14-13-5-4-12(8-15-13)20(18,19)17(3)10-11-6-7-16(2)9-11/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63274885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).