2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide

C10H18N2O3S — CID 170061022

IUPAC2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide
SMILESCNC(SCC=O)C(=O)NC(C)(C)C(C)=O
InChIInChI=1S/C10H18N2O3S/c1-7(14)10(2,3)12-8(15)9(11-4)16-6-5-13/h5,9,11H,6H2,1-4H3,(H,12,15)
InChIKeyQQCQJJXHFYNZJG-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.05
Rot. Bonds7

About 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide

2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide (PubChem CID 170061022) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide
PubChem CID170061022
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide
SMILESCNC(SCC=O)C(=O)NC(C)(C)C(C)=O
InChIInChI=1S/C10H18N2O3S/c1-7(14)10(2,3)12-8(15)9(11-4)16-6-5-13/h5,9,11H,6H2,1-4H3,(H,12,15)
InChIKeyQQCQJJXHFYNZJG-UHFFFAOYSA-N
XLogP-0.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide (CID 170061022) is 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide is CNC(SCC=O)C(=O)NC(C)(C)C(C)=O.
What is the InChIKey of 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide?
The InChIKey is QQCQJJXHFYNZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-7(14)10(2,3)12-8(15)9(11-4)16-6-5-13/h5,9,11H,6H2,1-4H3,(H,12,15).
What are the key properties of 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide?
2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide has a molecular weight of 246.33 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)-2-(2-oxoethylsulfanyl)acetamide is sourced from PubChem (CID 170061022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).