(5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

C9H16N2O2S — CID 16679761

IUPAC(5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)SC[C@@]1(C)NC(=O)NC1=O
InChIInChI=1S/C9H16N2O2S/c1-8(2,3)14-5-9(4)6(12)10-7(13)11-9/h5H2,1-4H3,(H2,10,11,12,13)/t9-/m1/s1
InChIKeyCLCLQDMQZNAPJH-SECBINFHSA-N
MW216.31 g/mol
LogP1.12
Rot. Bonds2

About (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

(5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 16679761) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID16679761
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name(5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)SC[C@@]1(C)NC(=O)NC1=O
InChIInChI=1S/C9H16N2O2S/c1-8(2,3)14-5-9(4)6(12)10-7(13)11-9/h5H2,1-4H3,(H2,10,11,12,13)/t9-/m1/s1
InChIKeyCLCLQDMQZNAPJH-SECBINFHSA-N
XLogP1.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4868343
2,4-Imidazolidinedione, 5-(mercaptomethyl)-5-methyl-, (5S)-
CID 9989517
(5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 10103426
5-Methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 10441963
5-Tert-butylthiomethyl-5-methylhydantoin
CID 11195294
2-Thia-5,7-diazaspiro[3.4]octane-6,8-dione
CID 15024262
5-Methyl-5-propan-2-ylsulfanylimidazolidine-2,4-dione
CID 20314781
5-Methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione
CID 21133012
N-[2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]ethyl]acetamide
CID 21348889
5-(2-Aminoethylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
CID 21966792
4-(2-Methylsulfanylethyl)-2,5-dioxoimidazolidine-4-carboxamide
CID 22446551
S-[(3-acetyl-4-methyl-2,5-dioxoimidazolidin-4-yl)methyl] ethanethioate
CID 23077148

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (CID 16679761) is (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is CC(C)(C)SC[C@@]1(C)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CLCLQDMQZNAPJH-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-8(2,3)14-5-9(4)6(12)10-7(13)11-9/h5H2,1-4H3,(H2,10,11,12,13)/t9-/m1/s1.
What are the key properties of (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
(5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 216.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(tert-butylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 16679761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).