2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide

C9H16N2O3S — CID 170359661

IUPAC2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
SMILESCSCC(=O)NCC(=O)NCCC(C)=O
InChIInChI=1S/C9H16N2O3S/c1-7(12)3-4-10-8(13)5-11-9(14)6-15-2/h3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyFKSWBQFWHJRDIM-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.44
Rot. Bonds7

About 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide

2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide (PubChem CID 170359661) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
PubChem CID170359661
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
SMILESCSCC(=O)NCC(=O)NCCC(C)=O
InChIInChI=1S/C9H16N2O3S/c1-7(12)3-4-10-8(13)5-11-9(14)6-15-2/h3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyFKSWBQFWHJRDIM-UHFFFAOYSA-N
XLogP-0.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide
CID 167491105
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
CID 121480756
N-(5-bromopentyl)-2-methylsulfanylacetamide
CID 107321815
N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen
CID 153333339
ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid
CID 144872534
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 147190025
2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642
N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
CID 21339517

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide?
The IUPAC name of 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide (CID 170359661) is 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide.
What is the SMILES notation for 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide?
The canonical SMILES for 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide is CSCC(=O)NCC(=O)NCCC(C)=O.
What is the InChIKey of 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide?
The InChIKey is FKSWBQFWHJRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7(12)3-4-10-8(13)5-11-9(14)6-15-2/h3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide?
2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide has a molecular weight of 232.30 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide is sourced from PubChem (CID 170359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).