1-ethylsulfinylpyrrolidine

C6H13NOS — CID 130762671

IUPAC1-ethylsulfinylpyrrolidine
SMILESCCS(=O)N1CCCC1
InChIInChI=1S/C6H13NOS/c1-2-9(8)7-5-3-4-6-7/h2-6H2,1H3
InChIKeyGTODLNFJMPYPHD-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.77
Rot. Bonds2

About 1-ethylsulfinylpyrrolidine

1-ethylsulfinylpyrrolidine (PubChem CID 130762671) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-ethylsulfinylpyrrolidine.

Molecular Properties

Compound Name1-ethylsulfinylpyrrolidine
PubChem CID130762671
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-ethylsulfinylpyrrolidine
SMILESCCS(=O)N1CCCC1
InChIInChI=1S/C6H13NOS/c1-2-9(8)7-5-3-4-6-7/h2-6H2,1H3
InChIKeyGTODLNFJMPYPHD-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylpyrrolidine?
The IUPAC name of 1-ethylsulfinylpyrrolidine (CID 130762671) is 1-ethylsulfinylpyrrolidine.
What is the SMILES notation for 1-ethylsulfinylpyrrolidine?
The canonical SMILES for 1-ethylsulfinylpyrrolidine is CCS(=O)N1CCCC1.
What is the InChIKey of 1-ethylsulfinylpyrrolidine?
The InChIKey is GTODLNFJMPYPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-9(8)7-5-3-4-6-7/h2-6H2,1H3.
What are the key properties of 1-ethylsulfinylpyrrolidine?
1-ethylsulfinylpyrrolidine has a molecular weight of 147.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylpyrrolidine is sourced from PubChem (CID 130762671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).