N,1-dimethylpyrrolidine-3-sulfonamide

C6H14N2O2S — CID 129125136

IUPACN,1-dimethylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C)C1
InChIInChI=1S/C6H14N2O2S/c1-7-11(9,10)6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyCJXIOFKZTYPGAM-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.76
Rot. Bonds2

About N,1-dimethylpyrrolidine-3-sulfonamide

N,1-dimethylpyrrolidine-3-sulfonamide (PubChem CID 129125136) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N,1-dimethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN,1-dimethylpyrrolidine-3-sulfonamide
PubChem CID129125136
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN,1-dimethylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C)C1
InChIInChI=1S/C6H14N2O2S/c1-7-11(9,10)6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyCJXIOFKZTYPGAM-UHFFFAOYSA-N
XLogP-0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpyrrolidine-3-sulfonamide?
The IUPAC name of N,1-dimethylpyrrolidine-3-sulfonamide (CID 129125136) is N,1-dimethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for N,1-dimethylpyrrolidine-3-sulfonamide?
The canonical SMILES for N,1-dimethylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(C)C1.
What is the InChIKey of N,1-dimethylpyrrolidine-3-sulfonamide?
The InChIKey is CJXIOFKZTYPGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-11(9,10)6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3.
What are the key properties of N,1-dimethylpyrrolidine-3-sulfonamide?
N,1-dimethylpyrrolidine-3-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 129125136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).