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

C12H24N2O3S — CID 18290269

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-5-12(2,3)13-11(15)8-14(4)10-6-7-18(16,17)9-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyAPRWQXQFBRADAW-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds5

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

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 18290269) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID18290269
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-5-12(2,3)13-11(15)8-14(4)10-6-7-18(16,17)9-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyAPRWQXQFBRADAW-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide (CID 18290269) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is APRWQXQFBRADAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-5-12(2,3)13-11(15)8-14(4)10-6-7-18(16,17)9-10/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 18290269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).