3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide

C11H21NO3S — CID 42915506

IUPAC3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide
SMILESCC(C)(C)CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10(2,3)7-9(13)12-11(4)5-6-16(14,15)8-11/h5-8H2,1-4H3,(H,12,13)
InChIKeyWOWBTPBDUFOUMF-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.12
Rot. Bonds2

About 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide

3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide (PubChem CID 42915506) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide
PubChem CID42915506
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide
SMILESCC(C)(C)CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10(2,3)7-9(13)12-11(4)5-6-16(14,15)8-11/h5-8H2,1-4H3,(H,12,13)
InChIKeyWOWBTPBDUFOUMF-UHFFFAOYSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide (CID 42915506) is 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide is CC(C)(C)CC(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide?
The InChIKey is WOWBTPBDUFOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10(2,3)7-9(13)12-11(4)5-6-16(14,15)8-11/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide?
3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide has a molecular weight of 247.36 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide is sourced from PubChem (CID 42915506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).