N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide

C10H19NO5S — CID 71033497

IUPACN-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NS(=O)(=O)C1COCCO1
InChIInChI=1S/C10H19NO5S/c1-4-10(2,3)9(12)11-17(13,14)8-7-15-5-6-16-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyADIKSEUKEMDTNX-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.24
Rot. Bonds4

About N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide

N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide (PubChem CID 71033497) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide
PubChem CID71033497
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC NameN-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NS(=O)(=O)C1COCCO1
InChIInChI=1S/C10H19NO5S/c1-4-10(2,3)9(12)11-17(13,14)8-7-15-5-6-16-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyADIKSEUKEMDTNX-UHFFFAOYSA-N
XLogP0.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide (CID 71033497) is N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NS(=O)(=O)C1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide?
The InChIKey is ADIKSEUKEMDTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-4-10(2,3)9(12)11-17(13,14)8-7-15-5-6-16-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide?
N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide has a molecular weight of 265.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylsulfonyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 71033497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).