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

C13H18N4O2S — CID 106608168

IUPAC6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H18N4O2S/c1-2-17(10-12-4-3-7-15-12)20(18,19)13-6-5-11(8-14)16-9-13/h5-6,9,12,15H,2-4,7,10H2,1H3
InChIKeyHRTOBAJKARURNM-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.72
Rot. Bonds5

About 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide

6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106608168) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID106608168
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H18N4O2S/c1-2-17(10-12-4-3-7-15-12)20(18,19)13-6-5-11(8-14)16-9-13/h5-6,9,12,15H,2-4,7,10H2,1H3
InChIKeyHRTOBAJKARURNM-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

5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608008
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106620212
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide (CID 106608168) is 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide is CCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is HRTOBAJKARURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-17(10-12-4-3-7-15-12)20(18,19)13-6-5-11(8-14)16-9-13/h5-6,9,12,15H,2-4,7,10H2,1H3.
What are the key properties of 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide?
6-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 6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106608168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).