3-pyrrolidin-1-ylpropyl sulfite

C7H14NO3S- — CID 174785148

IUPAC3-pyrrolidin-1-ylpropyl sulfite
SMILESO=S([O-])OCCCN1CCCC1
InChIInChI=1S/C7H15NO3S/c9-12(10)11-7-3-6-8-4-1-2-5-8/h1-7H2,(H,9,10)/p-1
InChIKeyOPDLRNMTDGTKCU-UHFFFAOYSA-M
MW192.26 g/mol
LogP0.28
Rot. Bonds5

About 3-pyrrolidin-1-ylpropyl sulfite

3-pyrrolidin-1-ylpropyl sulfite (PubChem CID 174785148) has the molecular formula C7H14NO3S- and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropyl sulfite.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropyl sulfite
PubChem CID174785148
Molecular FormulaC7H14NO3S-
Molecular Weight192.26 g/mol
Exact Mass192.07
IUPAC Name3-pyrrolidin-1-ylpropyl sulfite
SMILESO=S([O-])OCCCN1CCCC1
InChIInChI=1S/C7H15NO3S/c9-12(10)11-7-3-6-8-4-1-2-5-8/h1-7H2,(H,9,10)/p-1
InChIKeyOPDLRNMTDGTKCU-UHFFFAOYSA-M
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

4-piperazin-1-ylbutyl sulfite
CID 57144560
4-morpholin-4-ylbutyl sulfite
CID 91525212
3-(4-phenylpiperazin-1-yl)propyl sulfite
CID 174503214
azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite
CID 174892913
3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl sulfite
CID 174785243
2-pyrrolidin-1-ylethyl hydrogen sulfite
CID 174831724
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
1-(3-methylsulfinylpropyl)pyrrolidine
CID 154648174
3-piperidin-1-ylpropyl formate
CID 54144211
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
3-piperidin-1-ylpropyl hydrogen sulfate
CID 56993472
1-(2-ethynoxyethyl)pyrrolidine
CID 118412980

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropyl sulfite?
The IUPAC name of 3-pyrrolidin-1-ylpropyl sulfite (CID 174785148) is 3-pyrrolidin-1-ylpropyl sulfite.
What is the SMILES notation for 3-pyrrolidin-1-ylpropyl sulfite?
The canonical SMILES for 3-pyrrolidin-1-ylpropyl sulfite is O=S([O-])OCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropyl sulfite?
The InChIKey is OPDLRNMTDGTKCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO3S/c9-12(10)11-7-3-6-8-4-1-2-5-8/h1-7H2,(H,9,10)/p-1.
What are the key properties of 3-pyrrolidin-1-ylpropyl sulfite?
3-pyrrolidin-1-ylpropyl sulfite has a molecular weight of 192.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropyl sulfite is sourced from PubChem (CID 174785148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).