carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide

C13H25NO4S — CID 167682106

IUPACcarbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide
SMILESC.CC(C)SC(C)C(=O)NCC(=O)C(C)C.O=C=O
InChIInChI=1S/C11H21NO2S.CO2.CH4/c1-7(2)10(13)6-12-11(14)9(5)15-8(3)4;2-1-3;/h7-9H,6H2,1-5H3,(H,12,14);;1H4
InChIKeyVRPJYWIQRBRWFC-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.91
Rot. Bonds6

About carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide

carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide (PubChem CID 167682106) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound Namecarbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide
PubChem CID167682106
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Namecarbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide
SMILESC.CC(C)SC(C)C(=O)NCC(=O)C(C)C.O=C=O
InChIInChI=1S/C11H21NO2S.CO2.CH4/c1-7(2)10(13)6-12-11(14)9(5)15-8(3)4;2-1-3;/h7-9H,6H2,1-5H3,(H,12,14);;1H4
InChIKeyVRPJYWIQRBRWFC-UHFFFAOYSA-N
XLogP1.91
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide?
The IUPAC name of carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide (CID 167682106) is carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide?
The canonical SMILES for carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide is C.CC(C)SC(C)C(=O)NCC(=O)C(C)C.O=C=O.
What is the InChIKey of carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide?
The InChIKey is VRPJYWIQRBRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S.CO2.CH4/c1-7(2)10(13)6-12-11(14)9(5)15-8(3)4;2-1-3;/h7-9H,6H2,1-5H3,(H,12,14);;1H4.
What are the key properties of carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide?
carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide has a molecular weight of 291.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methane;N-(3-methyl-2-oxobutyl)-2-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 167682106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).