N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide

C12H24N2O3S — CID 18124441

IUPACN-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCCC(C)(C)NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-5-11(2,3)14-10(15)8-13-12(4)6-7-18(16,17)9-12/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyGOPZIPOZPZPIPU-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.46
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide

N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 18124441) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID18124441
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCCC(C)(C)NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-5-11(2,3)14-10(15)8-13-12(4)6-7-18(16,17)9-12/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyGOPZIPOZPZPIPU-UHFFFAOYSA-N
XLogP0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide (CID 18124441) is N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide is CCC(C)(C)NC(=O)CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is GOPZIPOZPZPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-5-11(2,3)14-10(15)8-13-12(4)6-7-18(16,17)9-12/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide has a molecular weight of 276.40 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 18124441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).