N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid

C7H17NO13S3 — CID 173435018

IUPACN,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid
SMILESC1COCCO1.CN(C)C=O.O=S(=O)(O)O.O=S1(=O)OS(=O)(=O)O1
InChIInChI=1S/C4H8O2.C3H7NO.O6S2.H2O4S/c1-2-6-4-3-5-1;1-4(2)3-5;1-7(2)5-8(3,4)6-7;1-5(2,3)4/h1-4H2;3H,1-2H3;;(H2,1,2,3,4)
InChIKeySWLQRRYUCTXBPN-UHFFFAOYSA-N
MW419.41 g/mol
LogP-2.39
Rot. Bonds1

About N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid

N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid (PubChem CID 173435018) has the molecular formula C7H17NO13S3 and a molecular weight of 419.41 g/mol. Its IUPAC name is N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid.

Molecular Properties

Compound NameN,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid
PubChem CID173435018
Molecular FormulaC7H17NO13S3
Molecular Weight419.41 g/mol
Exact Mass418.99
IUPAC NameN,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid
SMILESC1COCCO1.CN(C)C=O.O=S(=O)(O)O.O=S1(=O)OS(=O)(=O)O1
InChIInChI=1S/C4H8O2.C3H7NO.O6S2.H2O4S/c1-2-6-4-3-5-1;1-4(2)3-5;1-7(2)5-8(3,4)6-7;1-5(2,3)4/h1-4H2;3H,1-2H3;;(H2,1,2,3,4)
InChIKeySWLQRRYUCTXBPN-UHFFFAOYSA-N
XLogP-2.39
TPSA200.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid
CID 172854846
oxirane;sulfuric acid;hydrate
CID 87103232
N,N-dimethylformamide;formamide;oxolane
CID 88689078
lithium;N,N-dimethylformamide;iodide
CID 161014546
CID 159352431
CID 159352431
4-methylmorpholine;sulfuric acid
CID 146295231
sodium;hydride;oxirane;sulfuric acid;hydrate
CID 174580635
N,N-dimethylformamide;sulfoperoxy hydrogen sulfate
CID 22602657
N,N-dimethylformamide;molecular chlorine
CID 86751989
pentakis(N,N-dimethylformamide);ethane
CID 54023735
1,4-dioxane;sulfamic acid;hydrochloride
CID 160560959
1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate
CID 175600766

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid?
The IUPAC name of N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid (CID 173435018) is N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid.
What is the SMILES notation for N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid?
The canonical SMILES for N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid is C1COCCO1.CN(C)C=O.O=S(=O)(O)O.O=S1(=O)OS(=O)(=O)O1.
What is the InChIKey of N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid?
The InChIKey is SWLQRRYUCTXBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H7NO.O6S2.H2O4S/c1-2-6-4-3-5-1;1-4(2)3-5;1-7(2)5-8(3,4)6-7;1-5(2,3)4/h1-4H2;3H,1-2H3;;(H2,1,2,3,4).
What are the key properties of N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid?
N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid has a molecular weight of 419.41 g/mol, XLogP of -2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1,3,2,4-dioxadithietane 2,2,4,4-tetraoxide;1,4-dioxane;sulfuric acid is sourced from PubChem (CID 173435018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).