1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one

C14H26N2OS — CID 168669291

IUPAC1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCCC1CCCCN1CCN1CC(CS)CC1=O
InChIInChI=1S/C14H26N2OS/c1-2-13-5-3-4-6-15(13)7-8-16-10-12(11-18)9-14(16)17/h12-13,18H,2-11H2,1H3
InChIKeyNJTUNCOSABFISN-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one

1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168669291) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168669291
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCCC1CCCCN1CCN1CC(CS)CC1=O
InChIInChI=1S/C14H26N2OS/c1-2-13-5-3-4-6-15(13)7-8-16-10-12(11-18)9-14(16)17/h12-13,18H,2-11H2,1H3
InChIKeyNJTUNCOSABFISN-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896
1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine
CID 113441755
4-(chloromethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 168506636
1-[2-[methyl(propan-2-yl)amino]ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669654
1,2-diethylpiperidine
CID 19604037
tert-butyl 2-[[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 168669168
(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9398270
1-butyl-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082528
1-(2-aminopropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669215
1-dodecyl-2-ethylpiperidine
CID 171569899
2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one
CID 104691901
1-[2-(2-aminoethoxy)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168669291) is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one is CCC1CCCCN1CCN1CC(CS)CC1=O.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is NJTUNCOSABFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-13-5-3-4-6-15(13)7-8-16-10-12(11-18)9-14(16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 270.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168669291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).