1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione

C10H17NO3S — CID 106305045

IUPAC1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCSCCCO
InChIInChI=1S/C10H17NO3S/c12-6-2-7-15-8-5-11-9(13)3-1-4-10(11)14/h12H,1-8H2
InChIKeySJYDVVHDUSJJDE-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.64
Rot. Bonds6

About 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione

1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione (PubChem CID 106305045) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione
PubChem CID106305045
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCSCCCO
InChIInChI=1S/C10H17NO3S/c12-6-2-7-15-8-5-11-9(13)3-1-4-10(11)14/h12H,1-8H2
InChIKeySJYDVVHDUSJJDE-UHFFFAOYSA-N
XLogP0.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2-Cyclohexylsulfanylethyl)piperidine-2,6-dione
CID 21260017
1-(3-Cyclohexylsulfanylpropyl)piperidine-2,6-dione
CID 21260123
3-(2-Hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one
CID 57607447
1-(4-Methylsulfanylbutyl)piperidine-2,6-dione
CID 139959322
3-[1-(2,6-Dioxopiperidin-1-yl)butylsulfanyl]propanoic acid
CID 142868994
3-[1-(2,6-Dioxopiperidin-1-yl)propylsulfanyl]propanoic acid
CID 142868996
2-(2-Hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one
CID 43389391
2-(2-Hydroxyethylsulfanyl)-1-piperidin-1-ylethanone
CID 43392421
1-[3-(2-Hydroxyethylsulfanyl)propanoyl]piperidin-4-one
CID 53239087
2-Butylsulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60547028
(4-Hydroxypiperidin-1-yl)-(thiolan-2-yl)methanone
CID 64166285
2-(4-Hydroxybutan-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 65417076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione (CID 106305045) is 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCSCCCO.
What is the InChIKey of 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione?
The InChIKey is SJYDVVHDUSJJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-6-2-7-15-8-5-11-9(13)3-1-4-10(11)14/h12H,1-8H2.
What are the key properties of 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione?
1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione has a molecular weight of 231.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 106305045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).