1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine

C9H19NO3S — CID 21034982

IUPAC1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine
SMILESCOCCCN1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-13-7-3-5-10-6-4-9(8-10)14(2,11)12/h9H,3-8H2,1-2H3
InChIKeyINDROJWMVPHDSM-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.14
Rot. Bonds5

About 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine

1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine (PubChem CID 21034982) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine
PubChem CID21034982
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine
SMILESCOCCCN1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-13-7-3-5-10-6-4-9(8-10)14(2,11)12/h9H,3-8H2,1-2H3
InChIKeyINDROJWMVPHDSM-UHFFFAOYSA-N
XLogP0.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine?
The IUPAC name of 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine (CID 21034982) is 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine?
The canonical SMILES for 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine is COCCCN1CCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine?
The InChIKey is INDROJWMVPHDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-13-7-3-5-10-6-4-9(8-10)14(2,11)12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine?
1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-methylsulfonylpyrrolidine is sourced from PubChem (CID 21034982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).