5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one

C11H21NOS — CID 20755509

IUPAC5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one
SMILESCCCSCCCN1C(=O)CCC1C
InChIInChI=1S/C11H21NOS/c1-3-8-14-9-4-7-12-10(2)5-6-11(12)13/h10H,3-9H2,1-2H3
InChIKeyUDGOQOOLBBNKNM-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.53
Rot. Bonds6

About 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one

5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one (PubChem CID 20755509) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one
PubChem CID20755509
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one
SMILESCCCSCCCN1C(=O)CCC1C
InChIInChI=1S/C11H21NOS/c1-3-8-14-9-4-7-12-10(2)5-6-11(12)13/h10H,3-9H2,1-2H3
InChIKeyUDGOQOOLBBNKNM-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.53
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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Related Compounds

1-(2-(Decylthio)ethyl)-2-pyrrolidinone
CID 124240
(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
CID 56672999
Pyrrolidin-1-yl-(tetrahydro-thiophen-2-yl)-methanone
CID 44364227
(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-one
CID 56666095
4-(Methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 84324723
1-(2,5-Dimethylpyrrolidin-1-yl)-3-(methylsulfanyl)propan-1-one
CID 145867154
(4-Propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone
CID 70214355
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
1-[2-[[2-(Ethylthio)ethyl]thio]ethyl]-2-pyrrolidinone
CID 129809762
3-Fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one
CID 156548273
1-(1-Cyclohexylsulfanylethyl)pyrrolidin-2-one
CID 121011211
1-[2-(Propylthio)propyl]-2-pyrrolidinone
CID 129806510

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one (CID 20755509) is 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one is CCCSCCCN1C(=O)CCC1C.
What is the InChIKey of 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one?
The InChIKey is UDGOQOOLBBNKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-8-14-9-4-7-12-10(2)5-6-11(12)13/h10H,3-9H2,1-2H3.
What are the key properties of 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one?
5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one has a molecular weight of 215.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 20755509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).