5-ethylsulfanylpyrrolidin-2-one

C6H11NOS — CID 19868705

IUPAC5-ethylsulfanylpyrrolidin-2-one
SMILESCCSC1CCC(=O)N1
InChIInChI=1S/C6H11NOS/c1-2-9-6-4-3-5(8)7-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyMQTDGDQYHNDLIW-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.98
Rot. Bonds2

About 5-ethylsulfanylpyrrolidin-2-one

5-ethylsulfanylpyrrolidin-2-one (PubChem CID 19868705) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 5-ethylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethylsulfanylpyrrolidin-2-one
PubChem CID19868705
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name5-ethylsulfanylpyrrolidin-2-one
SMILESCCSC1CCC(=O)N1
InChIInChI=1S/C6H11NOS/c1-2-9-6-4-3-5(8)7-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyMQTDGDQYHNDLIW-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-ethylsulfanylpyrrolidin-2-one (CID 19868705) is 5-ethylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-ethylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-ethylsulfanylpyrrolidin-2-one is CCSC1CCC(=O)N1.
What is the InChIKey of 5-ethylsulfanylpyrrolidin-2-one?
The InChIKey is MQTDGDQYHNDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-9-6-4-3-5(8)7-6/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 5-ethylsulfanylpyrrolidin-2-one?
5-ethylsulfanylpyrrolidin-2-one has a molecular weight of 145.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 19868705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).