1-propan-2-ylsulfonylpyrrolidin-3-ol

C7H15NO3S — CID 62916605

IUPAC1-propan-2-ylsulfonylpyrrolidin-3-ol
SMILESCC(C)S(=O)(=O)N1CCC(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
InChIKeyVRUXRDBMNGCNLW-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.21
Rot. Bonds2

About 1-propan-2-ylsulfonylpyrrolidin-3-ol

1-propan-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 62916605) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-propan-2-ylsulfonylpyrrolidin-3-ol
PubChem CID62916605
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-propan-2-ylsulfonylpyrrolidin-3-ol
SMILESCC(C)S(=O)(=O)N1CCC(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
InChIKeyVRUXRDBMNGCNLW-UHFFFAOYSA-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 1-propan-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of 1-propan-2-ylsulfonylpyrrolidin-3-ol (CID 62916605) is 1-propan-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-propan-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-propan-2-ylsulfonylpyrrolidin-3-ol is CC(C)S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-propan-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is VRUXRDBMNGCNLW-UHFFFAOYSA-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.
What are the key properties of 1-propan-2-ylsulfonylpyrrolidin-3-ol?
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 1-propan-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62916605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).