N,N-diethylethanamine;methyl N-sulfonylcarbamate

C8H18N2O4S — CID 12688775

IUPACN,N-diethylethanamine;methyl N-sulfonylcarbamate
SMILESCCN(CC)CC.COC(=O)N=S(=O)=O
InChIInChI=1S/C6H15N.C2H3NO4S/c1-4-7(5-2)6-3;1-7-2(4)3-8(5)6/h4-6H2,1-3H3;1H3
InChIKeyIJMZNOKQGPDQTJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.16
Rot. Bonds3

About N,N-diethylethanamine;methyl N-sulfonylcarbamate

N,N-diethylethanamine;methyl N-sulfonylcarbamate (PubChem CID 12688775) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is N,N-diethylethanamine;methyl N-sulfonylcarbamate.

Molecular Properties

Compound NameN,N-diethylethanamine;methyl N-sulfonylcarbamate
PubChem CID12688775
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC NameN,N-diethylethanamine;methyl N-sulfonylcarbamate
SMILESCCN(CC)CC.COC(=O)N=S(=O)=O
InChIInChI=1S/C6H15N.C2H3NO4S/c1-4-7(5-2)6-3;1-7-2(4)3-8(5)6/h4-6H2,1-3H3;1H3
InChIKeyIJMZNOKQGPDQTJ-UHFFFAOYSA-N
XLogP1.16
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-sulfonylcarbamate;oxolane
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bis(N,N-diethylethanamine);oxalic acid
CID 71339505
N,N-diethylethanamine;N-methylacetamide
CID 19745535
N,N-diethylethanamine;hydroxycarbamic acid
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diacetyloxyboranyl acetate;N,N-diethylethanamine
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CID 173065244
CID 173434683
CID 173434683
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;methyl azidosulfonylformate
CID 175431392
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;methyl N-sulfonylcarbamate?
The IUPAC name of N,N-diethylethanamine;methyl N-sulfonylcarbamate (CID 12688775) is N,N-diethylethanamine;methyl N-sulfonylcarbamate.
What is the SMILES notation for N,N-diethylethanamine;methyl N-sulfonylcarbamate?
The canonical SMILES for N,N-diethylethanamine;methyl N-sulfonylcarbamate is CCN(CC)CC.COC(=O)N=S(=O)=O.
What is the InChIKey of N,N-diethylethanamine;methyl N-sulfonylcarbamate?
The InChIKey is IJMZNOKQGPDQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H3NO4S/c1-4-7(5-2)6-3;1-7-2(4)3-8(5)6/h4-6H2,1-3H3;1H3.
What are the key properties of N,N-diethylethanamine;methyl N-sulfonylcarbamate?
N,N-diethylethanamine;methyl N-sulfonylcarbamate has a molecular weight of 238.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methyl N-sulfonylcarbamate is sourced from PubChem (CID 12688775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).