1-(2-sulfanylbutyl)pyrrolidin-2-one

C8H15NOS — CID 19812523

IUPAC1-(2-sulfanylbutyl)pyrrolidin-2-one
SMILESCCC(S)CN1CCCC1=O
InChIInChI=1S/C8H15NOS/c1-2-7(11)6-9-5-3-4-8(9)10/h7,11H,2-6H2,1H3
InChIKeyQESCRTYFZUNZBI-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.32
Rot. Bonds3

About 1-(2-sulfanylbutyl)pyrrolidin-2-one

1-(2-sulfanylbutyl)pyrrolidin-2-one (PubChem CID 19812523) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(2-sulfanylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-sulfanylbutyl)pyrrolidin-2-one
PubChem CID19812523
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-(2-sulfanylbutyl)pyrrolidin-2-one
SMILESCCC(S)CN1CCCC1=O
InChIInChI=1S/C8H15NOS/c1-2-7(11)6-9-5-3-4-8(9)10/h7,11H,2-6H2,1H3
InChIKeyQESCRTYFZUNZBI-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylbutyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-sulfanylbutyl)pyrrolidin-2-one (CID 19812523) is 1-(2-sulfanylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-sulfanylbutyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-sulfanylbutyl)pyrrolidin-2-one is CCC(S)CN1CCCC1=O.
What is the InChIKey of 1-(2-sulfanylbutyl)pyrrolidin-2-one?
The InChIKey is QESCRTYFZUNZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-7(11)6-9-5-3-4-8(9)10/h7,11H,2-6H2,1H3.
What are the key properties of 1-(2-sulfanylbutyl)pyrrolidin-2-one?
1-(2-sulfanylbutyl)pyrrolidin-2-one has a molecular weight of 173.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 19812523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).