N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide

C13H21N3O3S — CID 3071742

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnccc1OC
InChIInChI=1S/C13H21N3O3S/c1-3-16-8-4-5-11(16)9-15-20(17,18)13-10-14-7-6-12(13)19-2/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyPQGOKXCXBIYLOX-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.85
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide (PubChem CID 3071742) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide
PubChem CID3071742
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnccc1OC
InChIInChI=1S/C13H21N3O3S/c1-3-16-8-4-5-11(16)9-15-20(17,18)13-10-14-7-6-12(13)19-2/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyPQGOKXCXBIYLOX-UHFFFAOYSA-N
XLogP0.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide (CID 3071742) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1cnccc1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide?
The InChIKey is PQGOKXCXBIYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-16-8-4-5-11(16)9-15-20(17,18)13-10-14-7-6-12(13)19-2/h6-7,10-11,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 3071742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).