N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide

C10H19N3O3S — CID 55173259

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19N3O3S/c1-16-10-9-13(8-4-5-11)17(14,15)12-6-2-3-7-12/h2-4,6-10H2,1H3
InChIKeyQCLYBJVDZGGYQX-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.19
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 55173259) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
PubChem CID55173259
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19N3O3S/c1-16-10-9-13(8-4-5-11)17(14,15)12-6-2-3-7-12/h2-4,6-10H2,1H3
InChIKeyQCLYBJVDZGGYQX-UHFFFAOYSA-N
XLogP0.19
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399
(4aR,8aS)-N-(2-cyanoethyl)-4a-hydroxy-N-(2-methoxyethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-sulfonamide
CID 124860987
N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
CID 124874694
1-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122071675
3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
CID 100729589
N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
CID 79578341
1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 54876717
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
CID 55261573
(3R)-3-[[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-methylamino]butanenitrile
CID 100729918
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide (CID 55173259) is N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide is COCCN(CCC#N)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is QCLYBJVDZGGYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-16-10-9-13(8-4-5-11)17(14,15)12-6-2-3-7-12/h2-4,6-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 55173259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).