4-ethyl-1-methylsulfonylpyrrolidin-3-ol

C7H15NO3S — CID 130693657

IUPAC4-ethyl-1-methylsulfonylpyrrolidin-3-ol
SMILESCCC1CN(S(C)(=O)=O)CC1O
InChIInChI=1S/C7H15NO3S/c1-3-6-4-8(5-7(6)9)12(2,10)11/h6-7,9H,3-5H2,1-2H3
InChIKeyDIPPFDMXJJOPRE-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.35
Rot. Bonds2

About 4-ethyl-1-methylsulfonylpyrrolidin-3-ol

4-ethyl-1-methylsulfonylpyrrolidin-3-ol (PubChem CID 130693657) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-ethyl-1-methylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-ethyl-1-methylsulfonylpyrrolidin-3-ol
PubChem CID130693657
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-ethyl-1-methylsulfonylpyrrolidin-3-ol
SMILESCCC1CN(S(C)(=O)=O)CC1O
InChIInChI=1S/C7H15NO3S/c1-3-6-4-8(5-7(6)9)12(2,10)11/h6-7,9H,3-5H2,1-2H3
InChIKeyDIPPFDMXJJOPRE-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylsulfonylpyrrolidin-3-ol?
The IUPAC name of 4-ethyl-1-methylsulfonylpyrrolidin-3-ol (CID 130693657) is 4-ethyl-1-methylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for 4-ethyl-1-methylsulfonylpyrrolidin-3-ol?
The canonical SMILES for 4-ethyl-1-methylsulfonylpyrrolidin-3-ol is CCC1CN(S(C)(=O)=O)CC1O.
What is the InChIKey of 4-ethyl-1-methylsulfonylpyrrolidin-3-ol?
The InChIKey is DIPPFDMXJJOPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-3-6-4-8(5-7(6)9)12(2,10)11/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-1-methylsulfonylpyrrolidin-3-ol?
4-ethyl-1-methylsulfonylpyrrolidin-3-ol has a molecular weight of 193.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 130693657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).