N,N-diethylethanamine;sulfur dioxide

C6H15NO2S — CID 12824984

IUPACN,N-diethylethanamine;sulfur dioxide
SMILESCCN(CC)CC.O=S=O
InChIInChI=1S/C6H15N.O2S/c1-4-7(5-2)6-3;1-3-2/h4-6H2,1-3H3;
InChIKeyCLWCIRYXQHTDOW-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.68
Rot. Bonds3

About N,N-diethylethanamine;sulfur dioxide

N,N-diethylethanamine;sulfur dioxide (PubChem CID 12824984) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N,N-diethylethanamine;sulfur dioxide.

Molecular Properties

Compound NameN,N-diethylethanamine;sulfur dioxide
PubChem CID12824984
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN,N-diethylethanamine;sulfur dioxide
SMILESCCN(CC)CC.O=S=O
InChIInChI=1S/C6H15N.O2S/c1-4-7(5-2)6-3;1-3-2/h4-6H2,1-3H3;
InChIKeyCLWCIRYXQHTDOW-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;formaldehyde
CID 88603277
N,N-diethylethanamine;oxotitanium
CID 174882939
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
N,N-diethylethanamine chloride
CID 22292735
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
CID 173397842
CID 173397842
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;sulfur dioxide?
The IUPAC name of N,N-diethylethanamine;sulfur dioxide (CID 12824984) is N,N-diethylethanamine;sulfur dioxide.
What is the SMILES notation for N,N-diethylethanamine;sulfur dioxide?
The canonical SMILES for N,N-diethylethanamine;sulfur dioxide is CCN(CC)CC.O=S=O.
What is the InChIKey of N,N-diethylethanamine;sulfur dioxide?
The InChIKey is CLWCIRYXQHTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.O2S/c1-4-7(5-2)6-3;1-3-2/h4-6H2,1-3H3;.
What are the key properties of N,N-diethylethanamine;sulfur dioxide?
N,N-diethylethanamine;sulfur dioxide has a molecular weight of 165.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;sulfur dioxide is sourced from PubChem (CID 12824984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).