[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol

C8H17NO4S — CID 62370985

IUPAC[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESCOCCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C8H17NO4S/c1-13-4-5-14(11,12)9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3
InChIKeyUDYNRCJZABHIPI-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.72
Rot. Bonds5

About [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol

[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 62370985) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID62370985
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESCOCCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C8H17NO4S/c1-13-4-5-14(11,12)9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3
InChIKeyUDYNRCJZABHIPI-UHFFFAOYSA-N
XLogP-0.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol (CID 62370985) is [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol is COCCS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is UDYNRCJZABHIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-13-4-5-14(11,12)9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3.
What are the key properties of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 223.29 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62370985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).