4-pyrrolidin-2-ylthiomorpholin-3-one

C8H14N2OS — CID 112546378

IUPAC4-pyrrolidin-2-ylthiomorpholin-3-one
SMILESO=C1CSCCN1C1CCCN1
InChIInChI=1S/C8H14N2OS/c11-8-6-12-5-4-10(8)7-2-1-3-9-7/h7,9H,1-6H2
InChIKeyMTLRPQIBSVRRNJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.27
Rot. Bonds1

About 4-pyrrolidin-2-ylthiomorpholin-3-one

4-pyrrolidin-2-ylthiomorpholin-3-one (PubChem CID 112546378) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-pyrrolidin-2-ylthiomorpholin-3-one.

Molecular Properties

Compound Name4-pyrrolidin-2-ylthiomorpholin-3-one
PubChem CID112546378
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-pyrrolidin-2-ylthiomorpholin-3-one
SMILESO=C1CSCCN1C1CCCN1
InChIInChI=1S/C8H14N2OS/c11-8-6-12-5-4-10(8)7-2-1-3-9-7/h7,9H,1-6H2
InChIKeyMTLRPQIBSVRRNJ-UHFFFAOYSA-N
XLogP0.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-2-ylazetidin-2-one
CID 112546295
5-methyl-1-piperidin-2-ylazepan-2-one
CID 112546578
6-piperidin-2-yl-6-azaspiro[2.5]octan-7-one
CID 112546543
1-piperidin-2-ylimidazolidin-2-one
CID 112546311
1-cyclopropyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
CID 112546551
5-methyl-1-pyrrolidin-2-ylpiperidin-2-one
CID 112546332
5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
CID 112546349
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
CID 112546342
(8aS)-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]thiazine-1,4-dione
CID 70585843
1-piperidin-2-ylpiperidine-2,6-dione
CID 112546401
4-pyrrolidin-2-ylmorpholin-2-one
CID 112546318

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-ylthiomorpholin-3-one?
The IUPAC name of 4-pyrrolidin-2-ylthiomorpholin-3-one (CID 112546378) is 4-pyrrolidin-2-ylthiomorpholin-3-one.
What is the SMILES notation for 4-pyrrolidin-2-ylthiomorpholin-3-one?
The canonical SMILES for 4-pyrrolidin-2-ylthiomorpholin-3-one is O=C1CSCCN1C1CCCN1.
What is the InChIKey of 4-pyrrolidin-2-ylthiomorpholin-3-one?
The InChIKey is MTLRPQIBSVRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c11-8-6-12-5-4-10(8)7-2-1-3-9-7/h7,9H,1-6H2.
What are the key properties of 4-pyrrolidin-2-ylthiomorpholin-3-one?
4-pyrrolidin-2-ylthiomorpholin-3-one has a molecular weight of 186.28 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-ylthiomorpholin-3-one is sourced from PubChem (CID 112546378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).