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

C9H19NO4S — CID 79594051

IUPAC(3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)OCCS(=O)(=O)N1CC[C@@H](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/t9-/m1/s1
InChIKeyRLGLJFLUPJPUNQ-SECBINFHSA-N
MW237.32 g/mol
LogP-0.19
Rot. Bonds5

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

(3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol (PubChem CID 79594051) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
PubChem CID79594051
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
SMILESCC(C)OCCS(=O)(=O)N1CC[C@@H](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/t9-/m1/s1
InChIKeyRLGLJFLUPJPUNQ-SECBINFHSA-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

Analyze (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol (CID 79594051) is (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol is CC(C)OCCS(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is RLGLJFLUPJPUNQ-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol?
(3R)-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 (3R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 79594051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).