(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

C9H14N2O3S — CID 35422277

IUPAC(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOCCN1C(=O)N[C@]2(CCSC2)C1=O
InChIInChI=1S/C9H14N2O3S/c1-14-4-3-11-7(12)9(10-8(11)13)2-5-15-6-9/h2-6H2,1H3,(H,10,13)/t9-/m0/s1
InChIKeyWPQRQBUWDROOOW-VIFPVBQESA-N
MW230.29 g/mol
LogP0.06
Rot. Bonds3

About (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 35422277) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID35422277
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOCCN1C(=O)N[C@]2(CCSC2)C1=O
InChIInChI=1S/C9H14N2O3S/c1-14-4-3-11-7(12)9(10-8(11)13)2-5-15-6-9/h2-6H2,1H3,(H,10,13)/t9-/m0/s1
InChIKeyWPQRQBUWDROOOW-VIFPVBQESA-N
XLogP0.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 35422277) is (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is COCCN1C(=O)N[C@]2(CCSC2)C1=O.
What is the InChIKey of (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is WPQRQBUWDROOOW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-14-4-3-11-7(12)9(10-8(11)13)2-5-15-6-9/h2-6H2,1H3,(H,10,13)/t9-/m0/s1.
What are the key properties of (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 230.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 35422277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).