[1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol

C9H19NO4S — CID 63290284

IUPAC[1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol
SMILESCOCCCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C9H19NO4S/c1-14-5-2-6-15(12,13)10-4-3-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyRHYKXWCVJVYTLG-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.33
Rot. Bonds6

About [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol

[1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 63290284) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID63290284
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name[1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol
SMILESCOCCCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C9H19NO4S/c1-14-5-2-6-15(12,13)10-4-3-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyRHYKXWCVJVYTLG-UHFFFAOYSA-N
XLogP-0.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
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-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol (CID 63290284) is [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol is COCCCS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is RHYKXWCVJVYTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-14-5-2-6-15(12,13)10-4-3-9(7-10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 237.32 g/mol, XLogP of -0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 63290284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).