(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one

C8H15NOS — CID 56672999

IUPAC(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
SMILESCCCSC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H15NOS/c1-2-5-11-6-7-3-4-8(10)9-7/h7H,2-6H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyFOWCKCFWGWTYDH-ZETCQYMHSA-N
MW173.28 g/mol
LogP1.41
Rot. Bonds4

About (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one

(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one (PubChem CID 56672999) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
PubChem CID56672999
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
SMILESCCCSC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H15NOS/c1-2-5-11-6-7-3-4-8(10)9-7/h7H,2-6H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyFOWCKCFWGWTYDH-ZETCQYMHSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one (CID 56672999) is (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one is CCCSC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one?
The InChIKey is FOWCKCFWGWTYDH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-5-11-6-7-3-4-8(10)9-7/h7H,2-6H2,1H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one?
(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one has a molecular weight of 173.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 56672999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).