4-(thian-3-yl)pyrrolidin-2-one

C9H15NOS — CID 105441847

IUPAC4-(thian-3-yl)pyrrolidin-2-one
SMILESO=C1CC(C2CCCSC2)CN1
InChIInChI=1S/C9H15NOS/c11-9-4-8(5-10-9)7-2-1-3-12-6-7/h7-8H,1-6H2,(H,10,11)
InChIKeyUSSSFMXTOQOZBI-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.27
Rot. Bonds1

About 4-(thian-3-yl)pyrrolidin-2-one

4-(thian-3-yl)pyrrolidin-2-one (PubChem CID 105441847) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-(thian-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(thian-3-yl)pyrrolidin-2-one
PubChem CID105441847
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-(thian-3-yl)pyrrolidin-2-one
SMILESO=C1CC(C2CCCSC2)CN1
InChIInChI=1S/C9H15NOS/c11-9-4-8(5-10-9)7-2-1-3-12-6-7/h7-8H,1-6H2,(H,10,11)
InChIKeyUSSSFMXTOQOZBI-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(thian-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(thian-3-yl)pyrrolidin-2-one (CID 105441847) is 4-(thian-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(thian-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(thian-3-yl)pyrrolidin-2-one is O=C1CC(C2CCCSC2)CN1.
What is the InChIKey of 4-(thian-3-yl)pyrrolidin-2-one?
The InChIKey is USSSFMXTOQOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c11-9-4-8(5-10-9)7-2-1-3-12-6-7/h7-8H,1-6H2,(H,10,11).
What are the key properties of 4-(thian-3-yl)pyrrolidin-2-one?
4-(thian-3-yl)pyrrolidin-2-one has a molecular weight of 185.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 105441847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).