2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide

C8H14N2O3S — CID 170359660

IUPAC2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
SMILESCSCC(=O)NCC(=O)NCC(C)=O
InChIInChI=1S/C8H14N2O3S/c1-6(11)3-9-7(12)4-10-8(13)5-14-2/h3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyYIULCLWOZKTFCZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.83
Rot. Bonds6

About 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide

2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide (PubChem CID 170359660) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
PubChem CID170359660
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
SMILESCSCC(=O)NCC(=O)NCC(C)=O
InChIInChI=1S/C8H14N2O3S/c1-6(11)3-9-7(12)4-10-8(13)5-14-2/h3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyYIULCLWOZKTFCZ-UHFFFAOYSA-N
XLogP-0.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
CID 170359661
N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
CID 21339517
3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide
CID 167491105
N-(2-oxopropyl)propanamide
CID 23550155
2-fluoro-N-(2-oxopropyl)acetamide
CID 171093326
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide
CID 130368088
N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
CID 65109943
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide
CID 91024658
S-[2-[[2-[[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl] ethanethioate
CID 155097086
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
CID 168928235

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide (CID 170359660) is 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide is CSCC(=O)NCC(=O)NCC(C)=O.
What is the InChIKey of 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide?
The InChIKey is YIULCLWOZKTFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-6(11)3-9-7(12)4-10-8(13)5-14-2/h3-5H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of 2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide?
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide has a molecular weight of 218.28 g/mol, XLogP of -0.83, 6 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-(2-oxopropyl)acetamide is sourced from PubChem (CID 170359660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).