(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate

C6H15NO2S2 — CID 175665124

IUPAC(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate
SMILESCS(C)(C)OC(=O)C(N)CS
InChIInChI=1S/C6H15NO2S2/c1-11(2,3)9-6(8)5(7)4-10/h5,10H,4,7H2,1-3H3
InChIKeyYQWTXGVUZFUHRY-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.40
Rot. Bonds3

About (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate

(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate (PubChem CID 175665124) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate.

Molecular Properties

Compound Name(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate
PubChem CID175665124
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC Name(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate
SMILESCS(C)(C)OC(=O)C(N)CS
InChIInChI=1S/C6H15NO2S2/c1-11(2,3)9-6(8)5(7)4-10/h5,10H,4,7H2,1-3H3
InChIKeyYQWTXGVUZFUHRY-UHFFFAOYSA-N
XLogP0.40
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-sulfanylpropaneperoxoic acid
CID 91512911
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate
CID 174802205
acetyl (2R)-2-amino-3-sulfanylpropanoate;azane
CID 87963097
[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
CID 101477503
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
CID 174802204
3-methylbutan-2-yl (2R)-2-amino-3-sulfanylpropanoate
CID 107774194
sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride
CID 173279188
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697
butan-2-yl 2-amino-3-sulfanylpropanoate
CID 60904086
bis[(2R)-2-amino-3-sulfanylpropanoyl] propanedioate
CID 57148534
2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate
CID 102382707
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668

Frequently Asked Questions

What is the IUPAC name of (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate?
The IUPAC name of (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate (CID 175665124) is (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate.
What is the SMILES notation for (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate?
The canonical SMILES for (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate is CS(C)(C)OC(=O)C(N)CS.
What is the InChIKey of (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate?
The InChIKey is YQWTXGVUZFUHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-11(2,3)9-6(8)5(7)4-10/h5,10H,4,7H2,1-3H3.
What are the key properties of (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate?
(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate has a molecular weight of 197.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate is sourced from PubChem (CID 175665124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).