ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide

C8H17NO2S — CID 144564571

IUPACethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
SMILESCC.CC(=O)N[C@@H](CS)C(C)=O
InChIInChI=1S/C6H11NO2S.C2H6/c1-4(8)6(3-10)7-5(2)9;1-2/h6,10H,3H2,1-2H3,(H,7,9);1-2H3/t6-;/m0./s1
InChIKeyPKMDLKIBJIFZAN-RGMNGODLSA-N
MW191.30 g/mol
LogP1.04
Rot. Bonds3

About ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide

ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide (PubChem CID 144564571) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
PubChem CID144564571
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Nameethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
SMILESCC.CC(=O)N[C@@H](CS)C(C)=O
InChIInChI=1S/C6H11NO2S.C2H6/c1-4(8)6(3-10)7-5(2)9;1-2/h6,10H,3H2,1-2H3,(H,7,9);1-2H3/t6-;/m0./s1
InChIKeyPKMDLKIBJIFZAN-RGMNGODLSA-N
XLogP1.04
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide
CID 88891450
N-(4-oxo-1-sulfanylpentan-3-yl)acetamide
CID 59749671
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
sodium 2-acetamido-3-sulfanylpropanoate
CID 23678797
tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)
CID 159067703
lithium 2-acetamido-3-sulfanylpropanoate
CID 87246334
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide
CID 89034866
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide?
The IUPAC name of ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide (CID 144564571) is ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide.
What is the SMILES notation for ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide?
The canonical SMILES for ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide is CC.CC(=O)N[C@@H](CS)C(C)=O.
What is the InChIKey of ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide?
The InChIKey is PKMDLKIBJIFZAN-RGMNGODLSA-N. The full InChI is InChI=1S/C6H11NO2S.C2H6/c1-4(8)6(3-10)7-5(2)9;1-2/h6,10H,3H2,1-2H3,(H,7,9);1-2H3/t6-;/m0./s1.
What are the key properties of ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide?
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide has a molecular weight of 191.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide is sourced from PubChem (CID 144564571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).