1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol

C9H19NO4S — CID 79594565

IUPAC1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)OCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H19NO4S/c1-8(2)14-5-6-15(12,13)10-4-3-9(11)7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyRLGLJFLUPJPUNQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.19
Rot. Bonds5

About 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol

1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol (PubChem CID 79594565) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
PubChem CID79594565
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)OCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H19NO4S/c1-8(2)14-5-6-15(12,13)10-4-3-9(11)7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyRLGLJFLUPJPUNQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol (CID 79594565) is 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol is CC(C)OCCS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is RLGLJFLUPJPUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(2)14-5-6-15(12,13)10-4-3-9(11)7-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-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-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 79594565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).