1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol

C9H19NO4S — CID 103871371

IUPAC1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCOCCCS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H19NO4S/c1-9(11)4-5-10(8-9)15(12,13)7-3-6-14-2/h11H,3-8H2,1-2H3
InChIKeyYPIYYPZDHOKMBC-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.19
Rot. Bonds5

About 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol

1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol (PubChem CID 103871371) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol
PubChem CID103871371
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCOCCCS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H19NO4S/c1-9(11)4-5-10(8-9)15(12,13)7-3-6-14-2/h11H,3-8H2,1-2H3
InChIKeyYPIYYPZDHOKMBC-UHFFFAOYSA-N
XLogP-0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.19
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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Related Compounds

(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
CID 164634547
1-(2-Ethoxyethylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113318699
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
1-[(1-Methylcyclopropyl)methylsulfonyl]pyrrolidin-3-ol
CID 163670901
[1-(2-Methoxyethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370985
1-Butylsulfonylpyrrolidin-3-ol
CID 62916608
1-(2-Methoxyethylsulfonyl)pyrrolidin-3-ol
CID 62917128
1-(2-Ethoxyethylsulfonyl)pyrrolidin-3-ol
CID 63246618
[1-(3-Methoxypropylsulfonyl)pyrrolidin-3-yl]methanol
CID 63290284
1-(3-Methoxypropylsulfonyl)pyrrolidin-3-ol
CID 63290424
1-Tert-butylsulfonylpyrrolidin-3-ol
CID 63689737
1-(3-Methylbutylsulfonyl)pyrrolidin-3-ol
CID 63857865

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol (CID 103871371) is 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol is COCCCS(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol?
The InChIKey is YPIYYPZDHOKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(11)4-5-10(8-9)15(12,13)7-3-6-14-2/h11H,3-8H2,1-2H3.
What are the key properties of 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol?
1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol has a molecular weight of 237.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfonyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).