3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide

C12H26N2O4S — CID 106609930

IUPAC3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCOC)CC1CCCN1
InChIInChI=1S/C12H26N2O4S/c1-17-8-4-10-19(15,16)14(7-9-18-2)11-12-5-3-6-13-12/h12-13H,3-11H2,1-2H3
InChIKeyOKKJVXQMFWNAAC-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.05
Rot. Bonds10

About 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide

3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide (PubChem CID 106609930) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
PubChem CID106609930
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CCOC)CC1CCCN1
InChIInChI=1S/C12H26N2O4S/c1-17-8-4-10-19(15,16)14(7-9-18-2)11-12-5-3-6-13-12/h12-13H,3-11H2,1-2H3
InChIKeyOKKJVXQMFWNAAC-UHFFFAOYSA-N
XLogP0.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106609888
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 106609985
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106609971
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
CID 104972385
1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106610075
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide (CID 106609930) is 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide is COCCCS(=O)(=O)N(CCOC)CC1CCCN1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is OKKJVXQMFWNAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-17-8-4-10-19(15,16)14(7-9-18-2)11-12-5-3-6-13-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 0.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 106609930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).