N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide

C11H21NO3S — CID 155804393

IUPACN-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-9(13)12(8-11(2,3)4)10-5-6-16(14,15)7-10/h10H,5-8H2,1-4H3
InChIKeyVUESENHSPSKUJP-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.07
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide

N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 155804393) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID155804393
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-9(13)12(8-11(2,3)4)10-5-6-16(14,15)7-10/h10H,5-8H2,1-4H3
InChIKeyVUESENHSPSKUJP-UHFFFAOYSA-N
XLogP1.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 155804394
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-methylpropyl)cyclopropanecarboxamide
CID 16270080
N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropanecarboxamide
CID 18573524
N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropanecarboxamide
CID 18573525
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)cyclopropanecarboxamide
CID 18573526
2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 155804512
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
CID 18573519
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylpropionamide
CID 18573520
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
CID 7613961
3-cyclopentylsulfonyl-N,N-diethylpropanamide
CID 45826577
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide
CID 75403162
2,2-dimethyl-1-[(3S)-3-methylsulfonylpyrrolidin-1-yl]propan-1-one
CID 97414847

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 155804393) is N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)N(CC(C)(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is VUESENHSPSKUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9(13)12(8-11(2,3)4)10-5-6-16(14,15)7-10/h10H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 247.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 155804393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).