N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide

C16H25N3O3S — CID 156602316

IUPACN-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C2CCOCC2)CC1c1cccnc1
InChIInChI=1S/C16H25N3O3S/c1-2-23(20,21)18-16-12-19(14-5-8-22-9-6-14)11-15(16)13-4-3-7-17-10-13/h3-4,7,10,14-16,18H,2,5-6,8-9,11-12H2,1H3
InChIKeyMQDYHRDJDFQOHX-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.97
Rot. Bonds5

About N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide

N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide (PubChem CID 156602316) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide
PubChem CID156602316
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C2CCOCC2)CC1c1cccnc1
InChIInChI=1S/C16H25N3O3S/c1-2-23(20,21)18-16-12-19(14-5-8-22-9-6-14)11-15(16)13-4-3-7-17-10-13/h3-4,7,10,14-16,18H,2,5-6,8-9,11-12H2,1H3
InChIKeyMQDYHRDJDFQOHX-UHFFFAOYSA-N
XLogP0.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-phenylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11568363
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11632254
N-((3S,4S)-4-(4-(6-fluoropyridin-3-yl)phenyl)tetrahydrofuran-3-yl)propane-2-sulfonamide
CID 16718565
N-((3S,4S)-4-(4-(5-fluoropyridin-3-yl)phenyl)tetrahydrofuran-3-yl)propane-2-sulfonamide
CID 52947618
N-((3S,4S)-4-(4-(5-fluoropyridin-2-yl)phenyl)tetrahydrofuran-3-yl)propane-2-sulfonamide
CID 52948827
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 4070204
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
4-methyl-N-(2-morpholino-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16189359
N-((3R,4R)-4-(4-(2-fluoropyridin-3-yl)phenyl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11581636
N-((3R,4R)-1-methyl-4-(4-(pyridin-3-yl)phenyl)pyrrolidin-3-yl)propane-2-sulfonamide
CID 11595635
N-(3-methoxypropyl)-1-phenyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 665338
N-({1-[(5-Ethylpyridin-2-YL)methyl]pyrrolidin-3-YL}methyl)cyclopropanesulfonamide
CID 56758604

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide (CID 156602316) is N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CN(C2CCOCC2)CC1c1cccnc1.
What is the InChIKey of N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is MQDYHRDJDFQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-23(20,21)18-16-12-19(14-5-8-22-9-6-14)11-15(16)13-4-3-7-17-10-13/h3-4,7,10,14-16,18H,2,5-6,8-9,11-12H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide?
N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 156602316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).