N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide

C6H12N2O2S — CID 60668278

IUPACN-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(N)=O
InChIInChI=1S/C6H12N2O2S/c1-11-3-2-6(10)8-4-5(7)9/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyZUMSDPVWOOMLDX-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.66
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide

N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide (PubChem CID 60668278) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
PubChem CID60668278
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(N)=O
InChIInChI=1S/C6H12N2O2S/c1-11-3-2-6(10)8-4-5(7)9/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyZUMSDPVWOOMLDX-UHFFFAOYSA-N
XLogP-0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642
3-methylsulfanyl-N-propylpropanamide
CID 60637635
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
CID 112551095
N-(2-amino-2-oxoethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 63904964
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
CID 104873806
ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
N-(2-amino-2-oxoethyl)-4-fluorobutanamide
CID 57129132
2-methylsulfanylethyl 2-(butanoylamino)acetate
CID 78862309
ethane;2-[[2-(methylamino)acetyl]amino]acetamide
CID 168928174
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide (CID 60668278) is N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide is CSCCC(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide?
The InChIKey is ZUMSDPVWOOMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-11-3-2-6(10)8-4-5(7)9/h2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide?
N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide has a molecular weight of 176.24 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 60668278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).