N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide

C10H19NO3S — CID 47157030

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-10(2,3)9(12)11-6-8-4-5-15(13,14)7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyFJRGGPWZTHPLME-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.58
Rot. Bonds2

About N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 47157030) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID47157030
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-10(2,3)9(12)11-6-8-4-5-15(13,14)7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyFJRGGPWZTHPLME-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
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N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 43054119
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
CID 136527412
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 5107420
N-(1,1-Dioxidotetrahydrothiophen-3-yl)pivalamide
CID 45595595
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]thiolane-3-carboxamide
CID 47042758
N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 53330516

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide (CID 47157030) is N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is FJRGGPWZTHPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(2,3)9(12)11-6-8-4-5-15(13,14)7-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 233.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 47157030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).