2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

C14H32N4O4S2 — CID 91081104

IUPAC2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCC.CN.CSCCC(N)C(=O)O.CSCCC1NC(=O)NC1=O
InChIInChI=1S/C6H10N2O2S.C5H11NO2S.C2H6.CH5N/c1-11-3-2-4-5(9)8-6(10)7-4;1-9-3-2-4(6)5(7)8;2*1-2/h4H,2-3H2,1H3,(H2,7,8,9,10);4H,2-3,6H2,1H3,(H,7,8);1-2H3;2H2,1H3
InChIKeySTNPRRSXMNAGDC-UHFFFAOYSA-N
MW384.57 g/mol
LogP0.70
Rot. Bonds7

About 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 91081104) has the molecular formula C14H32N4O4S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID91081104
Molecular FormulaC14H32N4O4S2
Molecular Weight384.57 g/mol
Exact Mass384.19
IUPAC Name2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCC.CN.CSCCC(N)C(=O)O.CSCCC1NC(=O)NC1=O
InChIInChI=1S/C6H10N2O2S.C5H11NO2S.C2H6.CH5N/c1-11-3-2-4-5(9)8-6(10)7-4;1-9-3-2-4(6)5(7)8;2*1-2/h4H,2-3H2,1H3,(H2,7,8,9,10);4H,2-3,6H2,1H3,(H,7,8);1-2H3;2H2,1H3
InChIKeySTNPRRSXMNAGDC-UHFFFAOYSA-N
XLogP0.70
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 50.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
azane;carbon dioxide;2-hydroxy-4-methylsulfanylbutanenitrile;methane;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione;hydrate
CID 158346389
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 91081104) is 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CC.CN.CSCCC(N)C(=O)O.CSCCC1NC(=O)NC1=O.
What is the InChIKey of 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is STNPRRSXMNAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S.C5H11NO2S.C2H6.CH5N/c1-11-3-2-4-5(9)8-6(10)7-4;1-9-3-2-4(6)5(7)8;2*1-2/h4H,2-3H2,1H3,(H2,7,8,9,10);4H,2-3,6H2,1H3,(H,7,8);1-2H3;2H2,1H3.
What are the key properties of 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 384.57 g/mol, XLogP of 0.70, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91081104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).