(3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol

C7H15NO3S — CID 66291398

IUPAC(3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol
SMILESCC(C)S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C7H15NO3S/c1-6(2)12(10,11)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyVRUXRDBMNGCNLW-SSDOTTSWSA-N
MW193.27 g/mol
LogP-0.21
Rot. Bonds2

About (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol

(3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 66291398) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol
PubChem CID66291398
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol
SMILESCC(C)S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C7H15NO3S/c1-6(2)12(10,11)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyVRUXRDBMNGCNLW-SSDOTTSWSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol (CID 66291398) is (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol is CC(C)S(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is VRUXRDBMNGCNLW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6(2)12(10,11)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol?
(3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol has a molecular weight of 193.27 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).