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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Related Compounds

2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide
CID 71971595
2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide
CID 84593072
N-(1,1-dioxidotetrahydrothien-3-yl)-2-(methylamino)acetamide hydrochloride
CID 42913513
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-(ethylamino)acetamide
CID 3682000
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylamino)acetamide
CID 24690088
2-[4-[(2-Propylsulfonylacetyl)amino]piperidin-1-yl]acetamide
CID 47378674
N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide
CID 56789563
2-(4-methyl-3-oxopiperazin-1-yl)-N-(thiolan-2-ylmethyl)acetamide
CID 75457724
2-[cyclooctyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 94814145
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915276
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81039231
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81039423

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).