(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide

C8H15NO2S2 — CID 88891450

IUPAC(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide
SMILESCC(=O)[C@@H](CS)NC(=O)[C@@H](C)CS
InChIInChI=1S/C8H15NO2S2/c1-5(3-12)8(11)9-7(4-13)6(2)10/h5,7,12-13H,3-4H2,1-2H3,(H,9,11)/t5-,7+/m0/s1
InChIKeyRYJCCJVERVAQFB-CAHLUQPWSA-N
MW221.35 g/mol
LogP0.56
Rot. Bonds5

About (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide

(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide (PubChem CID 88891450) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide
PubChem CID88891450
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC Name(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide
SMILESCC(=O)[C@@H](CS)NC(=O)[C@@H](C)CS
InChIInChI=1S/C8H15NO2S2/c1-5(3-12)8(11)9-7(4-13)6(2)10/h5,7,12-13H,3-4H2,1-2H3,(H,9,11)/t5-,7+/m0/s1
InChIKeyRYJCCJVERVAQFB-CAHLUQPWSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide with MolForge

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Related Compounds

ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
(4S)-4-methyl-3-oxo-N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]hexanamide
CID 59270329
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
(2S)-2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
CID 22859218
methyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoate
CID 91978262
(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-sulfanylpropanoate
CID 155903251
2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
CID 88881098
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 145458879

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide (CID 88891450) is (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide is CC(=O)[C@@H](CS)NC(=O)[C@@H](C)CS.
What is the InChIKey of (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide?
The InChIKey is RYJCCJVERVAQFB-CAHLUQPWSA-N. The full InChI is InChI=1S/C8H15NO2S2/c1-5(3-12)8(11)9-7(4-13)6(2)10/h5,7,12-13H,3-4H2,1-2H3,(H,9,11)/t5-,7+/m0/s1.
What are the key properties of (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide?
(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide has a molecular weight of 221.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide is sourced from PubChem (CID 88891450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).