N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide

C7H16N2O3S — CID 103871508

IUPACN-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C7H16N2O3S/c1-3-8-13(11,12)9-5-4-7(2,10)6-9/h8,10H,3-6H2,1-2H3
InChIKeyACMRGSXHIUEANP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.70
Rot. Bonds3

About N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide

N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide (PubChem CID 103871508) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
PubChem CID103871508
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C7H16N2O3S/c1-3-8-13(11,12)9-5-4-7(2,10)6-9/h8,10H,3-6H2,1-2H3
InChIKeyACMRGSXHIUEANP-UHFFFAOYSA-N
XLogP-0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide (CID 103871508) is N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
The InChIKey is ACMRGSXHIUEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-8-13(11,12)9-5-4-7(2,10)6-9/h8,10H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide?
N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-3-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103871508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).