(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one

C9H16N2OS — CID 67157930

IUPAC(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN2CCSCC2)N1
InChIInChI=1S/C9H16N2OS/c12-9-2-1-8(10-9)7-11-3-5-13-6-4-11/h8H,1-7H2,(H,10,12)/t8-/m0/s1
InChIKeyQJAZPLBJVQDLOB-QMMMGPOBSA-N
MW200.31 g/mol
LogP0.31
Rot. Bonds2

About (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one

(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 67157930) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one
PubChem CID67157930
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN2CCSCC2)N1
InChIInChI=1S/C9H16N2OS/c12-9-2-1-8(10-9)7-11-3-5-13-6-4-11/h8H,1-7H2,(H,10,12)/t8-/m0/s1
InChIKeyQJAZPLBJVQDLOB-QMMMGPOBSA-N
XLogP0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one (CID 67157930) is (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one is O=C1CC[C@@H](CN2CCSCC2)N1.
What is the InChIKey of (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is QJAZPLBJVQDLOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9-2-1-8(10-9)7-11-3-5-13-6-4-11/h8H,1-7H2,(H,10,12)/t8-/m0/s1.
What are the key properties of (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one?
(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 200.31 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 67157930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).