2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide

C8H15N3O3S2 — CID 23104749

IUPAC2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(CS)C(N)=O
InChIInChI=1S/C8H15N3O3S2/c1-4(12)10-6(3-16)8(14)11-5(2-15)7(9)13/h5-6,15-16H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14)
InChIKeyUAAWSPRMGRRFMF-UHFFFAOYSA-N
MW265.36 g/mol
LogP-1.68
Rot. Bonds6

About 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide

2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide (PubChem CID 23104749) has the molecular formula C8H15N3O3S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide
PubChem CID23104749
Molecular FormulaC8H15N3O3S2
Molecular Weight265.36 g/mol
Exact Mass265.06
IUPAC Name2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(CS)C(N)=O
InChIInChI=1S/C8H15N3O3S2/c1-4(12)10-6(3-16)8(14)11-5(2-15)7(9)13/h5-6,15-16H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14)
InChIKeyUAAWSPRMGRRFMF-UHFFFAOYSA-N
XLogP-1.68
TPSA101.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

L-cysteinylglycine zwitterion
CID 7098621
N-Acetylcysteinamide
CID 82333
N-Acetylcysteine amide
CID 10176265
N-Acetyl-DL-methioninamide
CID 536763
[(2-Ammonio-3-mercaptopropanoyl)amino]acetate
CID 25244227
Alanylcysteine zwitterion
CID 155903251
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
Propionamide, N,N'-(dithiodiethylene)bis(2-amino-, L-, dihydrobromide
CID 18631477
(S)-2-Acetamido-4-(methylthio)butanamide
CID 7004900
(S)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-mercaptoacetamido)-3-methylbutanamide
CID 46882379
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
S-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate
CID 516555

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide?
The IUPAC name of 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide (CID 23104749) is 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide.
What is the SMILES notation for 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide?
The canonical SMILES for 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)NC(CS)C(N)=O.
What is the InChIKey of 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide?
The InChIKey is UAAWSPRMGRRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S2/c1-4(12)10-6(3-16)8(14)11-5(2-15)7(9)13/h5-6,15-16H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14).
What are the key properties of 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide?
2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide has a molecular weight of 265.36 g/mol, XLogP of -1.68, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-sulfanylpropanamide is sourced from PubChem (CID 23104749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).