2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide

C13H21N3O2S — CID 114794213

IUPAC2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCCC1CCCN1
InChIInChI=1S/C13H21N3O2S/c17-19(18,11-7-13-4-1-2-8-14-13)16-10-6-12-5-3-9-15-12/h1-2,4,8,12,15-16H,3,5-7,9-11H2
InChIKeyOTXAYYHKKWKRQJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.69
Rot. Bonds7

About 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide

2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide (PubChem CID 114794213) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
PubChem CID114794213
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCCC1CCCN1
InChIInChI=1S/C13H21N3O2S/c17-19(18,11-7-13-4-1-2-8-14-13)16-10-6-12-5-3-9-15-12/h1-2,4,8,12,15-16H,3,5-7,9-11H2
InChIKeyOTXAYYHKKWKRQJ-UHFFFAOYSA-N
XLogP0.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(morpholin-3-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 103548911
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide?
The IUPAC name of 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide (CID 114794213) is 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide is O=S(=O)(CCc1ccccn1)NCCC1CCCN1.
What is the InChIKey of 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide?
The InChIKey is OTXAYYHKKWKRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-19(18,11-7-13-4-1-2-8-14-13)16-10-6-12-5-3-9-15-12/h1-2,4,8,12,15-16H,3,5-7,9-11H2.
What are the key properties of 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide?
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide is sourced from PubChem (CID 114794213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).