3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione

C15H23N3O3S — CID 95312944

IUPAC3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)C1
InChIInChI=1S/C15H23N3O3S/c1-11-3-2-6-17(9-11)12(19)10-18-13(20)15(16-14(18)21)4-7-22-8-5-15/h11H,2-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyCAVIQDOKZWBEDL-NSHDSACASA-N
MW325.43 g/mol
LogP1.06
Rot. Bonds2

About 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 95312944) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID95312944
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)C1
InChIInChI=1S/C15H23N3O3S/c1-11-3-2-6-17(9-11)12(19)10-18-13(20)15(16-14(18)21)4-7-22-8-5-15/h11H,2-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyCAVIQDOKZWBEDL-NSHDSACASA-N
XLogP1.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
CID 94457732
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 37134490
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929
3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119593328
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
(5S)-5-benzyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300130
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120814508
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione (CID 95312944) is 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)C1.
What is the InChIKey of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CAVIQDOKZWBEDL-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-3-2-6-17(9-11)12(19)10-18-13(20)15(16-14(18)21)4-7-22-8-5-15/h11H,2-10H2,1H3,(H,16,21)/t11-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 325.43 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 95312944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).