N,N-dimethylformamide;sulfur dioxide

C3H7NO3S — CID 86586388

IUPACN,N-dimethylformamide;sulfur dioxide
SMILESCN(C)C=O.O=S=O
InChIInChI=1S/C3H7NO.O2S/c1-4(2)3-5;1-3-2/h3H,1-2H3;
InChIKeyUPKMQTOHAIDTHY-UHFFFAOYSA-N
MW137.16 g/mol
LogP-0.97
Rot. Bonds1

About N,N-dimethylformamide;sulfur dioxide

N,N-dimethylformamide;sulfur dioxide (PubChem CID 86586388) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is N,N-dimethylformamide;sulfur dioxide.

Molecular Properties

Compound NameN,N-dimethylformamide;sulfur dioxide
PubChem CID86586388
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC NameN,N-dimethylformamide;sulfur dioxide
SMILESCN(C)C=O.O=S=O
InChIInChI=1S/C3H7NO.O2S/c1-4(2)3-5;1-3-2/h3H,1-2H3;
InChIKeyUPKMQTOHAIDTHY-UHFFFAOYSA-N
XLogP-0.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;sulfur dioxide?
The IUPAC name of N,N-dimethylformamide;sulfur dioxide (CID 86586388) is N,N-dimethylformamide;sulfur dioxide.
What is the SMILES notation for N,N-dimethylformamide;sulfur dioxide?
The canonical SMILES for N,N-dimethylformamide;sulfur dioxide is CN(C)C=O.O=S=O.
What is the InChIKey of N,N-dimethylformamide;sulfur dioxide?
The InChIKey is UPKMQTOHAIDTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.O2S/c1-4(2)3-5;1-3-2/h3H,1-2H3;.
What are the key properties of N,N-dimethylformamide;sulfur dioxide?
N,N-dimethylformamide;sulfur dioxide has a molecular weight of 137.16 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;sulfur dioxide is sourced from PubChem (CID 86586388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).