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

C13H22N4O2S — CID 103305951

IUPACN-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C13H22N4O2S/c1-14-12-5-4-7-15-13(12)20(18,19)17(3)10-11-6-8-16(2)9-11/h4-5,7,11,14H,6,8-10H2,1-3H3
InChIKeyYRSDXEBBSPEONC-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.70
Rot. Bonds5

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

N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide (PubChem CID 103305951) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
PubChem CID103305951
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C13H22N4O2S/c1-14-12-5-4-7-15-13(12)20(18,19)17(3)10-11-6-8-16(2)9-11/h4-5,7,11,14H,6,8-10H2,1-3H3
InChIKeyYRSDXEBBSPEONC-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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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306392
N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 63274885
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693004
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
N-(1-ethylpiperidin-4-yl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305346
2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 63234934
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 118549662
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
CID 103302994

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide (CID 103305951) is N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is YRSDXEBBSPEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-14-12-5-4-7-15-13(12)20(18,19)17(3)10-11-6-8-16(2)9-11/h4-5,7,11,14H,6,8-10H2,1-3H3.
What are the key properties of N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-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-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103305951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).