methyl N,N-diethylsulfamate

C5H13NO3S — CID 12581581

IUPACmethyl N,N-diethylsulfamate
SMILESCCN(CC)S(=O)(=O)OC
InChIInChI=1S/C5H13NO3S/c1-4-6(5-2)10(7,8)9-3/h4-5H2,1-3H3
InChIKeyCSNJYMQBWJDRIP-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.22
Rot. Bonds4

About methyl N,N-diethylsulfamate

methyl N,N-diethylsulfamate (PubChem CID 12581581) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is methyl N,N-diethylsulfamate.

Molecular Properties

Compound Namemethyl N,N-diethylsulfamate
PubChem CID12581581
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Namemethyl N,N-diethylsulfamate
SMILESCCN(CC)S(=O)(=O)OC
InChIInChI=1S/C5H13NO3S/c1-4-6(5-2)10(7,8)9-3/h4-5H2,1-3H3
InChIKeyCSNJYMQBWJDRIP-UHFFFAOYSA-N
XLogP0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-diethylsulfamate?
The IUPAC name of methyl N,N-diethylsulfamate (CID 12581581) is methyl N,N-diethylsulfamate.
What is the SMILES notation for methyl N,N-diethylsulfamate?
The canonical SMILES for methyl N,N-diethylsulfamate is CCN(CC)S(=O)(=O)OC.
What is the InChIKey of methyl N,N-diethylsulfamate?
The InChIKey is CSNJYMQBWJDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-4-6(5-2)10(7,8)9-3/h4-5H2,1-3H3.
What are the key properties of methyl N,N-diethylsulfamate?
methyl N,N-diethylsulfamate has a molecular weight of 167.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-diethylsulfamate is sourced from PubChem (CID 12581581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).