1-(3-methoxypropylsulfonyl)pyrrolidine

C8H17NO3S — CID 63362938

IUPAC1-(3-methoxypropylsulfonyl)pyrrolidine
SMILESCOCCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO3S/c1-12-7-4-8-13(10,11)9-5-2-3-6-9/h2-8H2,1H3
InChIKeyVXQAPUGXYQDNJP-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds5

About 1-(3-methoxypropylsulfonyl)pyrrolidine

1-(3-methoxypropylsulfonyl)pyrrolidine (PubChem CID 63362938) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methoxypropylsulfonyl)pyrrolidine
PubChem CID63362938
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(3-methoxypropylsulfonyl)pyrrolidine
SMILESCOCCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO3S/c1-12-7-4-8-13(10,11)9-5-2-3-6-9/h2-8H2,1H3
InChIKeyVXQAPUGXYQDNJP-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butylsulfonylpyrrolidine
CID 303063
2,2,2-Trifluoroethyl 3-(1-methylpyrrolidin-1-ium-1-yl)propane-1-sulfonate
CID 89420055
1-Pentylsulfonylpyrrolidine
CID 303120
1-(3-Methoxypropyl)-3-methylsulfonylpyrrolidine
CID 21034982
1-(Ethoxymethyl)-1-methylpyrrolidin-1-ium-2-sulfonate
CID 23116065
1-(Ethoxymethyl)-1-methylpyrrolidin-1-ium-2-sulfonic acid
CID 23116066
1-Ethyl-1-(methoxymethyl)pyrrolidin-1-ium-2-sulfonate
CID 23116110
1-(2-Methoxyethylsulfonyl)pyrrolidine
CID 61694182
1-(2-Ethoxyethylsulfonyl)pyrrolidine
CID 62732556
5-(2-Methylpropoxymethyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67806883
2-Propan-2-yl-5-propan-2-yloxy-1,2-thiazolidine 1,1-dioxide
CID 67807375
2-Propan-2-yl-5-(propan-2-yloxymethyl)-1,2-thiazolidine 1,1-dioxide
CID 67807447

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfonyl)pyrrolidine?
The IUPAC name of 1-(3-methoxypropylsulfonyl)pyrrolidine (CID 63362938) is 1-(3-methoxypropylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(3-methoxypropylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(3-methoxypropylsulfonyl)pyrrolidine is COCCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(3-methoxypropylsulfonyl)pyrrolidine?
The InChIKey is VXQAPUGXYQDNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-7-4-8-13(10,11)9-5-2-3-6-9/h2-8H2,1H3.
What are the key properties of 1-(3-methoxypropylsulfonyl)pyrrolidine?
1-(3-methoxypropylsulfonyl)pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfonyl)pyrrolidine is sourced from PubChem (CID 63362938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).