propyl pyrrolidine-1-sulfonate

C7H15NO3S — CID 123285976

IUPACpropyl pyrrolidine-1-sulfonate
SMILESCCCOS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15NO3S/c1-2-7-11-12(9,10)8-5-3-4-6-8/h2-7H2,1H3
InChIKeyLEDWDAJBQMGBEJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.75
Rot. Bonds4

About propyl pyrrolidine-1-sulfonate

propyl pyrrolidine-1-sulfonate (PubChem CID 123285976) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is propyl pyrrolidine-1-sulfonate.

Molecular Properties

Compound Namepropyl pyrrolidine-1-sulfonate
PubChem CID123285976
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Namepropyl pyrrolidine-1-sulfonate
SMILESCCCOS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15NO3S/c1-2-7-11-12(9,10)8-5-3-4-6-8/h2-7H2,1H3
InChIKeyLEDWDAJBQMGBEJ-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-1-methylpyrrolidinium ethylsulfate
CID 86645097
Ethyl 3,3-difluoropyrrolidine-1-sulfonate
CID 177326345
Propan-2-yl 3-fluoropyrrolidine-1-sulfonate
CID 177326694
Methyl pyrrolidine-1-sulfinate
CID 21334358
3-Ethyl-1,2,3-oxathiazolidine 2,2-dioxide
CID 72207526
Ethyl sulfamate;1-methyl-1-propylpyrrolidin-1-ium
CID 87264879
1-Butyl-1-methylpyrrolidin-1-ium;ethyl sulfate
CID 87471050
Ethyl pyrrolidine-1-sulfonate
CID 87646410
(5R)-3-ethyl-5-methyloxathiazolidine 2,2-dioxide
CID 89168351
2-(1-Methylpyrrolidin-1-ium-1-yl)ethyl sulfite
CID 89420062
(5S)-3-ethyl-5-methyloxathiazolidine 2,2-dioxide
CID 89615968
2-Methoxypyrrolidine-1-sulfonamide
CID 117720647

Frequently Asked Questions

What is the IUPAC name of propyl pyrrolidine-1-sulfonate?
The IUPAC name of propyl pyrrolidine-1-sulfonate (CID 123285976) is propyl pyrrolidine-1-sulfonate.
What is the SMILES notation for propyl pyrrolidine-1-sulfonate?
The canonical SMILES for propyl pyrrolidine-1-sulfonate is CCCOS(=O)(=O)N1CCCC1.
What is the InChIKey of propyl pyrrolidine-1-sulfonate?
The InChIKey is LEDWDAJBQMGBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-7-11-12(9,10)8-5-3-4-6-8/h2-7H2,1H3.
What are the key properties of propyl pyrrolidine-1-sulfonate?
propyl pyrrolidine-1-sulfonate has a molecular weight of 193.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl pyrrolidine-1-sulfonate is sourced from PubChem (CID 123285976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).