(1-benzylpyrrolidin-3-yl) sulfite

C11H14NO3S- — CID 91372704

IUPAC(1-benzylpyrrolidin-3-yl) sulfite
SMILESO=S([O-])OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H15NO3S/c13-16(14)15-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/p-1
InChIKeyNYXKFEASWDPGBJ-UHFFFAOYSA-M
MW240.30 g/mol
LogP1.07
Rot. Bonds4

About (1-benzylpyrrolidin-3-yl) sulfite

(1-benzylpyrrolidin-3-yl) sulfite (PubChem CID 91372704) has the molecular formula C11H14NO3S- and a molecular weight of 240.30 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl) sulfite.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl) sulfite
PubChem CID91372704
Molecular FormulaC11H14NO3S-
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name(1-benzylpyrrolidin-3-yl) sulfite
SMILESO=S([O-])OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H15NO3S/c13-16(14)15-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/p-1
InChIKeyNYXKFEASWDPGBJ-UHFFFAOYSA-M
XLogP1.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-benzylpyrrolidin-3-yl) sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
1-benzyl-4-[methyl(sulfinato)amino]piperidine
CID 59098116
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
CID 58171508
CID 58171508
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
1-benzyl-3-(oxan-2-yloxy)pyrrolidine
CID 18687581

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl) sulfite?
The IUPAC name of (1-benzylpyrrolidin-3-yl) sulfite (CID 91372704) is (1-benzylpyrrolidin-3-yl) sulfite.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl) sulfite?
The canonical SMILES for (1-benzylpyrrolidin-3-yl) sulfite is O=S([O-])OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl) sulfite?
The InChIKey is NYXKFEASWDPGBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO3S/c13-16(14)15-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)/p-1.
What are the key properties of (1-benzylpyrrolidin-3-yl) sulfite?
(1-benzylpyrrolidin-3-yl) sulfite has a molecular weight of 240.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl) sulfite is sourced from PubChem (CID 91372704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).