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

C13H22N4O2S — CID 62145977

IUPAC2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C13H22N4O2S/c1-3-14-13-12(5-4-7-15-13)20(18,19)16-9-11-6-8-17(2)10-11/h4-5,7,11,16H,3,6,8-10H2,1-2H3,(H,14,15)
InChIKeyXBWRYIMEKHZLLL-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.74
Rot. Bonds6

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

2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 62145977) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID62145977
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C13H22N4O2S/c1-3-14-13-12(5-4-7-15-13)20(18,19)16-9-11-6-8-17(2)10-11/h4-5,7,11,16H,3,6,8-10H2,1-2H3,(H,14,15)
InChIKeyXBWRYIMEKHZLLL-UHFFFAOYSA-N
XLogP0.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (CID 62145977) is 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)NCC1CCN(C)C1.
What is the InChIKey of 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is XBWRYIMEKHZLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-14-13-12(5-4-7-15-13)20(18,19)16-9-11-6-8-17(2)10-11/h4-5,7,11,16H,3,6,8-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62145977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).