2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide

C10H20N2O3S — CID 81038902

IUPAC2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCC1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-3-12(2)10(13)8-11-7-9-5-4-6-16(9,14)15/h9,11H,3-8H2,1-2H3
InChIKeyBLNRXFQEQGACBQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.37
Rot. Bonds5

About 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide

2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 81038902) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID81038902
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCC1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-3-12(2)10(13)8-11-7-9-5-4-6-16(9,14)15/h9,11H,3-8H2,1-2H3
InChIKeyBLNRXFQEQGACBQ-UHFFFAOYSA-N
XLogP-0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.37
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-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide (CID 81038902) is 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCC1CCCS1(=O)=O.
What is the InChIKey of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is BLNRXFQEQGACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-12(2)10(13)8-11-7-9-5-4-6-16(9,14)15/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide?
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 248.35 g/mol, XLogP of -0.37, 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-2-yl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81038902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).