N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide

C11H21NO3S — CID 110755793

IUPACN-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)7-10(13)12(4)9-5-6-16(14,15)8-9/h9H,5-8H2,1-4H3
InChIKeyGPUJFLCRQVMDDI-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.07
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide

N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide (PubChem CID 110755793) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
PubChem CID110755793
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)7-10(13)12(4)9-5-6-16(14,15)8-9/h9H,5-8H2,1-4H3
InChIKeyGPUJFLCRQVMDDI-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

N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115637928
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65265770
2-amino-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 61266565
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 60671834
2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 63874286
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821840
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide (CID 110755793) is N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide is CN(C(=O)CC(C)(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
The InChIKey is GPUJFLCRQVMDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,3)7-10(13)12(4)9-5-6-16(14,15)8-9/h9H,5-8H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide?
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide 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-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 110755793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).