(1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol

C9H19NO3S — CID 155141449

IUPAC(1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
SMILESCC(C)S(=O)(=O)C[C@H](O)[C@H]1CCCN1
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-9(11)8-4-3-5-10-8/h7-11H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyLJAMGYRJFWFUGK-BDAKNGLRSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds4

About (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol

(1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol (PubChem CID 155141449) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
PubChem CID155141449
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
SMILESCC(C)S(=O)(=O)C[C@H](O)[C@H]1CCCN1
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-9(11)8-4-3-5-10-8/h7-11H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyLJAMGYRJFWFUGK-BDAKNGLRSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol 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 (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol (CID 155141449) is (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol is CC(C)S(=O)(=O)C[C@H](O)[C@H]1CCCN1.
What is the InChIKey of (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The InChIKey is LJAMGYRJFWFUGK-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-9(11)8-4-3-5-10-8/h7-11H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
(1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 155141449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).