(5R)-5-(sulfanylmethyl)pyrrolidin-2-one

C5H9NOS — CID 59949416

IUPAC(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CS)N1
InChIInChI=1S/C5H9NOS/c7-5-2-1-4(3-8)6-5/h4,8H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKeyMBXICMRPEZDVTJ-SCSAIBSYSA-N
MW131.20 g/mol
LogP0.19
Rot. Bonds1

About (5R)-5-(sulfanylmethyl)pyrrolidin-2-one

(5R)-5-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 59949416) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (5R)-5-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID59949416
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CS)N1
InChIInChI=1S/C5H9NOS/c7-5-2-1-4(3-8)6-5/h4,8H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKeyMBXICMRPEZDVTJ-SCSAIBSYSA-N
XLogP0.19
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
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 (5R)-5-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(sulfanylmethyl)pyrrolidin-2-one (CID 59949416) is (5R)-5-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(sulfanylmethyl)pyrrolidin-2-one is O=C1CC[C@H](CS)N1.
What is the InChIKey of (5R)-5-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is MBXICMRPEZDVTJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NOS/c7-5-2-1-4(3-8)6-5/h4,8H,1-3H2,(H,6,7)/t4-/m1/s1.
What are the key properties of (5R)-5-(sulfanylmethyl)pyrrolidin-2-one?
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 131.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 59949416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).