1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione

C17H31NO2S — CID 21260110

IUPAC1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione
SMILESCCCCCCCCC(C)SCCN1C(=O)CCCC1=O
InChIInChI=1S/C17H31NO2S/c1-3-4-5-6-7-8-10-15(2)21-14-13-18-16(19)11-9-12-17(18)20/h15H,3-14H2,1-2H3
InChIKeyFBRMTSSGKXGHNQ-UHFFFAOYSA-N
MW313.51 g/mol
LogP4.40
Rot. Bonds11

About 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione

1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione (PubChem CID 21260110) has the molecular formula C17H31NO2S and a molecular weight of 313.51 g/mol. Its IUPAC name is 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione
PubChem CID21260110
Molecular FormulaC17H31NO2S
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Name1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione
SMILESCCCCCCCCC(C)SCCN1C(=O)CCCC1=O
InChIInChI=1S/C17H31NO2S/c1-3-4-5-6-7-8-10-15(2)21-14-13-18-16(19)11-9-12-17(18)20/h15H,3-14H2,1-2H3
InChIKeyFBRMTSSGKXGHNQ-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-dodecyl 2-(1-methyl-2,6-dioxopiperidin-4-yl)ethanethioate
CID 25256795
S-dodecyl 2-(1-ethyl-2,6-dioxopiperidin-4-yl)ethanethioate
CID 25256796
N-(1-oxododecyl)thiomorpholine
CID 11778705
N-n-dodecanoyl-S-oxo-thiomorpholine
CID 129722213
1-(3-Nonylsulfanylpropyl)piperidin-2-one
CID 14128038
4-Dodecylthiomorpholin-3-one
CID 14626004
3-Dodecanoyl-1,3-thiazinan-2-one
CID 18702571
1-(3-Octadecylsulfanylpropyl)piperidine-2,6-dione
CID 18968675
1-Thiomorpholin-4-yldecan-1-one
CID 19856906
1-(10-Octylsulfanyldecyl)piperidine-2,6-dione
CID 21259946
1-(3-Octadecan-3-ylsulfanylpropyl)piperidine-2,6-dione
CID 21259956
1-(2-Cyclohexylsulfanylethyl)piperidine-2,6-dione
CID 21260017

Frequently Asked Questions

What is the IUPAC name of 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione?
The IUPAC name of 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione (CID 21260110) is 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione is CCCCCCCCC(C)SCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione?
The InChIKey is FBRMTSSGKXGHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2S/c1-3-4-5-6-7-8-10-15(2)21-14-13-18-16(19)11-9-12-17(18)20/h15H,3-14H2,1-2H3.
What are the key properties of 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione?
1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione has a molecular weight of 313.51 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-decan-2-ylsulfanylethyl)piperidine-2,6-dione is sourced from PubChem (CID 21260110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).