2-acetamido-3,3-bis(sulfanyl)propanamide

C5H10N2O2S2 — CID 139245338

IUPAC2-acetamido-3,3-bis(sulfanyl)propanamide
SMILESCC(=O)NC(C(N)=O)C(S)S
InChIInChI=1S/C5H10N2O2S2/c1-2(8)7-3(4(6)9)5(10)11/h3,5,10-11H,1H3,(H2,6,9)(H,7,8)
InChIKeyLREJWYAHFYBEHQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.84
Rot. Bonds3

About 2-acetamido-3,3-bis(sulfanyl)propanamide

2-acetamido-3,3-bis(sulfanyl)propanamide (PubChem CID 139245338) has the molecular formula C5H10N2O2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-acetamido-3,3-bis(sulfanyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3,3-bis(sulfanyl)propanamide
PubChem CID139245338
Molecular FormulaC5H10N2O2S2
Molecular Weight194.28 g/mol
Exact Mass194.02
IUPAC Name2-acetamido-3,3-bis(sulfanyl)propanamide
SMILESCC(=O)NC(C(N)=O)C(S)S
InChIInChI=1S/C5H10N2O2S2/c1-2(8)7-3(4(6)9)5(10)11/h3,5,10-11H,1H3,(H2,6,9)(H,7,8)
InChIKeyLREJWYAHFYBEHQ-UHFFFAOYSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-Acetylcysteinamide
CID 82333
N-Acetylcysteine amide
CID 10176265
Ethylene bis mercaptoacetamide
CID 368250
Glycyl-l-alaninamide
CID 7019077
Alanylcysteine zwitterion
CID 155903251
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
2-Acetamidopropanamide
CID 152381
(2R)-2-acetamido-3-sulfanyl-N-(2-sulfanylethyl)propanamide
CID 516570
(2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide
CID 54168661
Me-Cys(1)-NEt2.Me-Cys(1)-NEt2
CID 76684252
(S)-2-Acetamidopropanamide
CID 6950965
Acetylcysteinamide, DL-
CID 9942232

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3,3-bis(sulfanyl)propanamide?
The IUPAC name of 2-acetamido-3,3-bis(sulfanyl)propanamide (CID 139245338) is 2-acetamido-3,3-bis(sulfanyl)propanamide.
What is the SMILES notation for 2-acetamido-3,3-bis(sulfanyl)propanamide?
The canonical SMILES for 2-acetamido-3,3-bis(sulfanyl)propanamide is CC(=O)NC(C(N)=O)C(S)S.
What is the InChIKey of 2-acetamido-3,3-bis(sulfanyl)propanamide?
The InChIKey is LREJWYAHFYBEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S2/c1-2(8)7-3(4(6)9)5(10)11/h3,5,10-11H,1H3,(H2,6,9)(H,7,8).
What are the key properties of 2-acetamido-3,3-bis(sulfanyl)propanamide?
2-acetamido-3,3-bis(sulfanyl)propanamide has a molecular weight of 194.28 g/mol, XLogP of -0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3,3-bis(sulfanyl)propanamide is sourced from PubChem (CID 139245338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).