N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide

C10H22N2O4S — CID 79548425

IUPACN-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide
SMILESCCOC(CNS(=O)(=O)N1CCCC1)OCC
InChIInChI=1S/C10H22N2O4S/c1-3-15-10(16-4-2)9-11-17(13,14)12-7-5-6-8-12/h10-11H,3-9H2,1-2H3
InChIKeyZIFVMZAQLHUBFQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.32
Rot. Bonds8

About N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide

N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 79548425) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide
PubChem CID79548425
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide
SMILESCCOC(CNS(=O)(=O)N1CCCC1)OCC
InChIInChI=1S/C10H22N2O4S/c1-3-15-10(16-4-2)9-11-17(13,14)12-7-5-6-8-12/h10-11H,3-9H2,1-2H3
InChIKeyZIFVMZAQLHUBFQ-UHFFFAOYSA-N
XLogP0.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide (CID 79548425) is N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide is CCOC(CNS(=O)(=O)N1CCCC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is ZIFVMZAQLHUBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-3-15-10(16-4-2)9-11-17(13,14)12-7-5-6-8-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide?
N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 266.36 g/mol, XLogP of 0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 79548425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).