1-methylsulfonyl-2-propylpyrrolidine

C8H17NO2S — CID 59852648

IUPAC1-methylsulfonyl-2-propylpyrrolidine
SMILESCCCC1CCCN1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-3-5-8-6-4-7-9(8)12(2,10)11/h8H,3-7H2,1-2H3
InChIKeyJLGMQTYADIBSMZ-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.21
Rot. Bonds3

About 1-methylsulfonyl-2-propylpyrrolidine

1-methylsulfonyl-2-propylpyrrolidine (PubChem CID 59852648) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-methylsulfonyl-2-propylpyrrolidine.

Molecular Properties

Compound Name1-methylsulfonyl-2-propylpyrrolidine
PubChem CID59852648
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-methylsulfonyl-2-propylpyrrolidine
SMILESCCCC1CCCN1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-3-5-8-6-4-7-9(8)12(2,10)11/h8H,3-7H2,1-2H3
InChIKeyJLGMQTYADIBSMZ-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-propylpyrrolidine?
The IUPAC name of 1-methylsulfonyl-2-propylpyrrolidine (CID 59852648) is 1-methylsulfonyl-2-propylpyrrolidine.
What is the SMILES notation for 1-methylsulfonyl-2-propylpyrrolidine?
The canonical SMILES for 1-methylsulfonyl-2-propylpyrrolidine is CCCC1CCCN1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-2-propylpyrrolidine?
The InChIKey is JLGMQTYADIBSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-5-8-6-4-7-9(8)12(2,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-methylsulfonyl-2-propylpyrrolidine?
1-methylsulfonyl-2-propylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-propylpyrrolidine is sourced from PubChem (CID 59852648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).