1-propylsulfinylpyrrolidine

C7H15NOS — CID 130963156

IUPAC1-propylsulfinylpyrrolidine
SMILESCCCS(=O)N1CCCC1
InChIInChI=1S/C7H15NOS/c1-2-7-10(9)8-5-3-4-6-8/h2-7H2,1H3
InChIKeyWMIOATHGFRGJJR-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.16
Rot. Bonds3

About 1-propylsulfinylpyrrolidine

1-propylsulfinylpyrrolidine (PubChem CID 130963156) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-propylsulfinylpyrrolidine.

Molecular Properties

Compound Name1-propylsulfinylpyrrolidine
PubChem CID130963156
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-propylsulfinylpyrrolidine
SMILESCCCS(=O)N1CCCC1
InChIInChI=1S/C7H15NOS/c1-2-7-10(9)8-5-3-4-6-8/h2-7H2,1H3
InChIKeyWMIOATHGFRGJJR-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfinylpyrrolidine?
The IUPAC name of 1-propylsulfinylpyrrolidine (CID 130963156) is 1-propylsulfinylpyrrolidine.
What is the SMILES notation for 1-propylsulfinylpyrrolidine?
The canonical SMILES for 1-propylsulfinylpyrrolidine is CCCS(=O)N1CCCC1.
What is the InChIKey of 1-propylsulfinylpyrrolidine?
The InChIKey is WMIOATHGFRGJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-7-10(9)8-5-3-4-6-8/h2-7H2,1H3.
What are the key properties of 1-propylsulfinylpyrrolidine?
1-propylsulfinylpyrrolidine has a molecular weight of 161.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfinylpyrrolidine is sourced from PubChem (CID 130963156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).