1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol

C8H17NO4S — CID 63246618

IUPAC1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol
SMILESCCOCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H17NO4S/c1-2-13-5-6-14(11,12)9-4-3-8(10)7-9/h8,10H,2-7H2,1H3
InChIKeyWVNUFSKFZKHNRL-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.58
Rot. Bonds5

About 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol

1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol (PubChem CID 63246618) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol
PubChem CID63246618
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol
SMILESCCOCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H17NO4S/c1-2-13-5-6-14(11,12)9-4-3-8(10)7-9/h8,10H,2-7H2,1H3
InChIKeyWVNUFSKFZKHNRL-UHFFFAOYSA-N
XLogP-0.58
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 ≤ 5-0.58
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-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol (CID 63246618) is 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol is CCOCCS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is WVNUFSKFZKHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-2-13-5-6-14(11,12)9-4-3-8(10)7-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol?
1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 223.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 63246618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).