3-methyl-1-sulfanylpiperidine-2,6-dione

C6H9NO2S — CID 163267461

IUPAC3-methyl-1-sulfanylpiperidine-2,6-dione
SMILESCC1CCC(=O)N(S)C1=O
InChIInChI=1S/C6H9NO2S/c1-4-2-3-5(8)7(10)6(4)9/h4,10H,2-3H2,1H3
InChIKeyDJBVJTRJNHHAJJ-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.62
Rot. Bonds

About 3-methyl-1-sulfanylpiperidine-2,6-dione

3-methyl-1-sulfanylpiperidine-2,6-dione (PubChem CID 163267461) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-methyl-1-sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-sulfanylpiperidine-2,6-dione
PubChem CID163267461
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-methyl-1-sulfanylpiperidine-2,6-dione
SMILESCC1CCC(=O)N(S)C1=O
InChIInChI=1S/C6H9NO2S/c1-4-2-3-5(8)7(10)6(4)9/h4,10H,2-3H2,1H3
InChIKeyDJBVJTRJNHHAJJ-UHFFFAOYSA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-sulfanylpiperidine-2,6-dione?
The IUPAC name of 3-methyl-1-sulfanylpiperidine-2,6-dione (CID 163267461) is 3-methyl-1-sulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-methyl-1-sulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-methyl-1-sulfanylpiperidine-2,6-dione is CC1CCC(=O)N(S)C1=O.
What is the InChIKey of 3-methyl-1-sulfanylpiperidine-2,6-dione?
The InChIKey is DJBVJTRJNHHAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4-2-3-5(8)7(10)6(4)9/h4,10H,2-3H2,1H3.
What are the key properties of 3-methyl-1-sulfanylpiperidine-2,6-dione?
3-methyl-1-sulfanylpiperidine-2,6-dione has a molecular weight of 159.21 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 163267461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).