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

C8H18N2O4S — CID 62968034

IUPACN-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCCC1)OC
InChIInChI=1S/C8H18N2O4S/c1-13-8(14-2)7-9-15(11,12)10-5-3-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyXMNOLBIPJKCKMH-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.46
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 62968034) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide
PubChem CID62968034
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC NameN-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCCC1)OC
InChIInChI=1S/C8H18N2O4S/c1-13-8(14-2)7-9-15(11,12)10-5-3-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyXMNOLBIPJKCKMH-UHFFFAOYSA-N
XLogP-0.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.46
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-dimethoxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide (CID 62968034) is N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide is COC(CNS(=O)(=O)N1CCCC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is XMNOLBIPJKCKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-13-8(14-2)7-9-15(11,12)10-5-3-4-6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide?
N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 238.31 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 62968034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).