1-benzylsulfanylpiperidine-2,6-dione

C12H13NO2S — CID 121009641

IUPAC1-benzylsulfanylpiperidine-2,6-dione
SMILESO=C1CCCC(=O)N1SCc1ccccc1
InChIInChI=1S/C12H13NO2S/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyXLSDCGGYDZVQRH-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.37
Rot. Bonds3

About 1-benzylsulfanylpiperidine-2,6-dione

1-benzylsulfanylpiperidine-2,6-dione (PubChem CID 121009641) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-benzylsulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-benzylsulfanylpiperidine-2,6-dione
PubChem CID121009641
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-benzylsulfanylpiperidine-2,6-dione
SMILESO=C1CCCC(=O)N1SCc1ccccc1
InChIInChI=1S/C12H13NO2S/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyXLSDCGGYDZVQRH-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromophenyl)methylsulfanyl]pyrrolidine-2,5-dione
CID 140694659
(2S)-2-(2,6-dioxopiperidin-1-yl)-3-phenylpropanal
CID 173472784
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
(3aS,7aR)-3-benzylsulfanyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 101368046
4-benzylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 20897270
1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one
CID 132546764
N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 74239482
S-benzylthiohydroxylamine
CID 14664407
1-benzylsulfanylpiperazine
CID 143158923
1-benzylsulfanylpyrrole-2,5-diol
CID 54176954
1-(3-benzylsulfanyl-2-ethylphenyl)pyrrolidin-2-one
CID 73424864
2-benzylsulfanyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551070

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanylpiperidine-2,6-dione?
The IUPAC name of 1-benzylsulfanylpiperidine-2,6-dione (CID 121009641) is 1-benzylsulfanylpiperidine-2,6-dione.
What is the SMILES notation for 1-benzylsulfanylpiperidine-2,6-dione?
The canonical SMILES for 1-benzylsulfanylpiperidine-2,6-dione is O=C1CCCC(=O)N1SCc1ccccc1.
What is the InChIKey of 1-benzylsulfanylpiperidine-2,6-dione?
The InChIKey is XLSDCGGYDZVQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of 1-benzylsulfanylpiperidine-2,6-dione?
1-benzylsulfanylpiperidine-2,6-dione has a molecular weight of 235.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanylpiperidine-2,6-dione is sourced from PubChem (CID 121009641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).