1-(1-decylsulfanylethyl)pyrrolidin-2-one

C16H31NOS — CID 22633677

IUPAC1-(1-decylsulfanylethyl)pyrrolidin-2-one
SMILESCCCCCCCCCCSC(C)N1CCCC1=O
InChIInChI=1S/C16H31NOS/c1-3-4-5-6-7-8-9-10-14-19-15(2)17-13-11-12-16(17)18/h15H,3-14H2,1-2H3
InChIKeyDTXGYGXXLJEBIC-UHFFFAOYSA-N
MW285.50 g/mol
LogP4.83
Rot. Bonds11

About 1-(1-decylsulfanylethyl)pyrrolidin-2-one

1-(1-decylsulfanylethyl)pyrrolidin-2-one (PubChem CID 22633677) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 1-(1-decylsulfanylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-decylsulfanylethyl)pyrrolidin-2-one
PubChem CID22633677
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name1-(1-decylsulfanylethyl)pyrrolidin-2-one
SMILESCCCCCCCCCCSC(C)N1CCCC1=O
InChIInChI=1S/C16H31NOS/c1-3-4-5-6-7-8-9-10-14-19-15(2)17-13-11-12-16(17)18/h15H,3-14H2,1-2H3
InChIKeyDTXGYGXXLJEBIC-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
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 1-(1-decylsulfanylethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-decylsulfanylethyl)pyrrolidin-2-one (CID 22633677) is 1-(1-decylsulfanylethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-decylsulfanylethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-decylsulfanylethyl)pyrrolidin-2-one is CCCCCCCCCCSC(C)N1CCCC1=O.
What is the InChIKey of 1-(1-decylsulfanylethyl)pyrrolidin-2-one?
The InChIKey is DTXGYGXXLJEBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-3-4-5-6-7-8-9-10-14-19-15(2)17-13-11-12-16(17)18/h15H,3-14H2,1-2H3.
What are the key properties of 1-(1-decylsulfanylethyl)pyrrolidin-2-one?
1-(1-decylsulfanylethyl)pyrrolidin-2-one has a molecular weight of 285.50 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-decylsulfanylethyl)pyrrolidin-2-one is sourced from PubChem (CID 22633677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).