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

C14H27NOS — CID 56673000

IUPAC(5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one
SMILESCCCCCCCCCSC[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H27NOS/c1-2-3-4-5-6-7-8-11-17-12-13-9-10-14(16)15-13/h13H,2-12H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyVAMCTUAZBLGJLX-ZDUSSCGKSA-N
MW257.44 g/mol
LogP3.75
Rot. Bonds10

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

(5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one (PubChem CID 56673000) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one
PubChem CID56673000
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name(5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one
SMILESCCCCCCCCCSC[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H27NOS/c1-2-3-4-5-6-7-8-11-17-12-13-9-10-14(16)15-13/h13H,2-12H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyVAMCTUAZBLGJLX-ZDUSSCGKSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.75
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-(nonylsulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one (CID 56673000) is (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one is CCCCCCCCCSC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one?
The InChIKey is VAMCTUAZBLGJLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NOS/c1-2-3-4-5-6-7-8-11-17-12-13-9-10-14(16)15-13/h13H,2-12H2,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one?
(5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one has a molecular weight of 257.44 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 56673000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).