3-methylsulfonylpyrrolidine-1-sulfonamide

C5H12N2O4S2 — CID 57434350

IUPAC3-methylsulfonylpyrrolidine-1-sulfonamide
SMILESCS(=O)(=O)C1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O4S2/c1-12(8,9)5-2-3-7(4-5)13(6,10)11/h5H,2-4H2,1H3,(H2,6,10,11)
InChIKeyQJMGZPJMGCSKDX-UHFFFAOYSA-N
MW228.29 g/mol
LogP-1.69
Rot. Bonds2

About 3-methylsulfonylpyrrolidine-1-sulfonamide

3-methylsulfonylpyrrolidine-1-sulfonamide (PubChem CID 57434350) has the molecular formula C5H12N2O4S2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methylsulfonylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-methylsulfonylpyrrolidine-1-sulfonamide
PubChem CID57434350
Molecular FormulaC5H12N2O4S2
Molecular Weight228.29 g/mol
Exact Mass228.02
IUPAC Name3-methylsulfonylpyrrolidine-1-sulfonamide
SMILESCS(=O)(=O)C1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O4S2/c1-12(8,9)5-2-3-7(4-5)13(6,10)11/h5H,2-4H2,1H3,(H2,6,10,11)
InChIKeyQJMGZPJMGCSKDX-UHFFFAOYSA-N
XLogP-1.69
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropylsulfonyl-4-methylsulfonylpiperidine
CID 71805701
(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide
CID 45080623
1-methylsulfanyl-3-methylsulfonylpyrrolidine
CID 166650519
piperidine-1,3-disulfonamide
CID 115897696
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584719
1-(3,4-dimethoxyphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584724
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-methylsulfonylpyrrolidine-1-sulfonamide (CID 57434350) is 3-methylsulfonylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-methylsulfonylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-methylsulfonylpyrrolidine-1-sulfonamide is CS(=O)(=O)C1CCN(S(N)(=O)=O)C1.
What is the InChIKey of 3-methylsulfonylpyrrolidine-1-sulfonamide?
The InChIKey is QJMGZPJMGCSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S2/c1-12(8,9)5-2-3-7(4-5)13(6,10)11/h5H,2-4H2,1H3,(H2,6,10,11).
What are the key properties of 3-methylsulfonylpyrrolidine-1-sulfonamide?
3-methylsulfonylpyrrolidine-1-sulfonamide has a molecular weight of 228.29 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 57434350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).