4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one

C14H27NOS — CID 105344613

IUPAC4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one
SMILESCC1CC(=O)N(CCCCCCCCCS)C1
InChIInChI=1S/C14H27NOS/c1-13-11-14(16)15(12-13)9-7-5-3-2-4-6-8-10-17/h13,17H,2-12H2,1H3
InChIKeyGQIBRXRUMCDUGU-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.52
Rot. Bonds9

About 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one

4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one (PubChem CID 105344613) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one
PubChem CID105344613
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one
SMILESCC1CC(=O)N(CCCCCCCCCS)C1
InChIInChI=1S/C14H27NOS/c1-13-11-14(16)15(12-13)9-7-5-3-2-4-6-8-10-17/h13,17H,2-12H2,1H3
InChIKeyGQIBRXRUMCDUGU-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobutyl)-4-methylpyrrolidin-2-one
CID 63103884
1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
CID 63101369
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
2,2-dimethyl-6-(4-methyl-2-oxopyrrolidin-1-yl)hexanenitrile
CID 106710243
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
CID 63102458
1-(6-hydroxyhexyl)-4-sulfanylpyrrolidin-2-one
CID 168709296
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1-methyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344647

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one (CID 105344613) is 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one is CC1CC(=O)N(CCCCCCCCCS)C1.
What is the InChIKey of 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one?
The InChIKey is GQIBRXRUMCDUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-13-11-14(16)15(12-13)9-7-5-3-2-4-6-8-10-17/h13,17H,2-12H2,1H3.
What are the key properties of 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one?
4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one has a molecular weight of 257.44 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one is sourced from PubChem (CID 105344613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).