2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide

C13H18N4O2S — CID 106608008

IUPAC2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H18N4O2S/c1-2-17(10-11-5-3-7-15-11)20(18,19)13-6-4-8-16-12(13)9-14/h4,6,8,11,15H,2-3,5,7,10H2,1H3
InChIKeyQASWCGQGYQMWNP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.72
Rot. Bonds5

About 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide

2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106608008) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID106608008
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H18N4O2S/c1-2-17(10-11-5-3-7-15-11)20(18,19)13-6-4-8-16-12(13)9-14/h4,6,8,11,15H,2-3,5,7,10H2,1H3
InChIKeyQASWCGQGYQMWNP-UHFFFAOYSA-N
XLogP0.72
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
N-ethyl-N-(pyrrolidin-2-ylmethyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 106608086
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide (CID 106608008) is 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide is CCN(CC1CCCN1)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is QASWCGQGYQMWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-17(10-11-5-3-7-15-11)20(18,19)13-6-4-8-16-12(13)9-14/h4,6,8,11,15H,2-3,5,7,10H2,1H3.
What are the key properties of 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106608008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).