(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione

C6H10N2O2S2 — CID 137384358

IUPAC(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(SS)C1=O
InChIInChI=1S/C6H10N2O2S2/c1-3-6(2)4(9)8(12-11)5(10)7-6/h11H,3H2,1-2H3,(H,7,10)/t6-/m1/s1
InChIKeyMFVXLVKWRLIBMM-ZCFIWIBFSA-N
MW206.29 g/mol
LogP1.20
Rot. Bonds2

About (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione

(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 137384358) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID137384358
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(SS)C1=O
InChIInChI=1S/C6H10N2O2S2/c1-3-6(2)4(9)8(12-11)5(10)7-6/h11H,3H2,1-2H3,(H,7,10)/t6-/m1/s1
InChIKeyMFVXLVKWRLIBMM-ZCFIWIBFSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

3-ethoxy-5-ethyl-5-methylimidazolidine-2,4-dione
CID 130653587
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
CID 81297119
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 61396577
3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 63629297
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
(5R)-5-ethyl-5-methyl-3-nonan-2-ylimidazolidine-2,4-dione
CID 134243919
3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
CID 64882721
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64885693

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione (CID 137384358) is (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(SS)C1=O.
What is the InChIKey of (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is MFVXLVKWRLIBMM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-3-6(2)4(9)8(12-11)5(10)7-6/h11H,3H2,1-2H3,(H,7,10)/t6-/m1/s1.
What are the key properties of (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 206.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 137384358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).