N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide

C12H19N3O2S — CID 110705764

IUPACN-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-14(11-6-12-4-7-13-8-5-12)18(16,17)15-9-2-3-10-15/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKeyROBJZYRMFMLIHG-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.90
Rot. Bonds5

About N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide

N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide (PubChem CID 110705764) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide
PubChem CID110705764
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-14(11-6-12-4-7-13-8-5-12)18(16,17)15-9-2-3-10-15/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKeyROBJZYRMFMLIHG-UHFFFAOYSA-N
XLogP0.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
CID 63396691
2-[2-[methyl(pyrrolidin-1-ylsulfonyl)amino]ethyl]benzoic acid
CID 104547128
N-(2-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 110245780
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide
CID 94812189
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027898
N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 53499305
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide (CID 110705764) is N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide is CN(CCc1ccncc1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide?
The InChIKey is ROBJZYRMFMLIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-14(11-6-12-4-7-13-8-5-12)18(16,17)15-9-2-3-10-15/h4-5,7-8H,2-3,6,9-11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide?
N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110705764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).