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

C11H21NO3S — CID 126609000

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-4-11(2,3)10(13)12-7-9-5-6-16(14,15)8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyAVVUPYLEFLAQPY-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.97
Rot. Bonds4

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

N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide (PubChem CID 126609000) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide
PubChem CID126609000
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-4-11(2,3)10(13)12-7-9-5-6-16(14,15)8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyAVVUPYLEFLAQPY-UHFFFAOYSA-N
XLogP0.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide
CID 71854930
N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide
CID 42915506
N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
CID 136527412
(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
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
1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 86909623
(3S)-1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]thiolane-3-carboxamide
CID 94181012

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide (CID 126609000) is N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide?
The InChIKey is AVVUPYLEFLAQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-4-11(2,3)10(13)12-7-9-5-6-16(14,15)8-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide has a molecular weight of 247.36 g/mol, XLogP of 0.97, 4 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-dimethylbutanamide is sourced from PubChem (CID 126609000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).