(2,6-dimethoxyphenyl) N,N-dimethylsulfamate

C10H15NO5S — CID 177459902

IUPAC(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
SMILESCOc1cccc(OC)c1OS(=O)(=O)N(C)C
InChIInChI=1S/C10H15NO5S/c1-11(2)17(12,13)16-10-8(14-3)6-5-7-9(10)15-4/h5-7H,1-4H3
InChIKeyOHPSQVMNQHKHQY-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.89
Rot. Bonds5

About (2,6-dimethoxyphenyl) N,N-dimethylsulfamate

(2,6-dimethoxyphenyl) N,N-dimethylsulfamate (PubChem CID 177459902) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) N,N-dimethylsulfamate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
PubChem CID177459902
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
SMILESCOc1cccc(OC)c1OS(=O)(=O)N(C)C
InChIInChI=1S/C10H15NO5S/c1-11(2)17(12,13)16-10-8(14-3)6-5-7-9(10)15-4/h5-7H,1-4H3
InChIKeyOHPSQVMNQHKHQY-UHFFFAOYSA-N
XLogP0.89
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,6-dimethoxyphenyl) N,N-dimethylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethoxyphenyl) sulfamate
CID 86254316
(2-hydroxyphenyl) N,N-dimethylsulfamate
CID 86147551
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(2,3-dimethoxyphenyl) trifluoromethanesulfonate
CID 22096593
sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide
CID 88679243
4-methoxy-2-benzofuran
CID 21318708
(3,5-dimethoxyphenyl) N,N-dimethylsulfamate
CID 118351208
[2,3-bis(methylsulfonyloxy)phenyl] methanesulfonate
CID 159669792
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
(3-methoxy-2-methylphenyl) methanesulfonate
CID 88541782
5-methoxy-N-methyl-N-propan-2-ylnaphthalen-2-amine
CID 126610841

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) N,N-dimethylsulfamate?
The IUPAC name of (2,6-dimethoxyphenyl) N,N-dimethylsulfamate (CID 177459902) is (2,6-dimethoxyphenyl) N,N-dimethylsulfamate.
What is the SMILES notation for (2,6-dimethoxyphenyl) N,N-dimethylsulfamate?
The canonical SMILES for (2,6-dimethoxyphenyl) N,N-dimethylsulfamate is COc1cccc(OC)c1OS(=O)(=O)N(C)C.
What is the InChIKey of (2,6-dimethoxyphenyl) N,N-dimethylsulfamate?
The InChIKey is OHPSQVMNQHKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-11(2)17(12,13)16-10-8(14-3)6-5-7-9(10)15-4/h5-7H,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl) N,N-dimethylsulfamate?
(2,6-dimethoxyphenyl) N,N-dimethylsulfamate has a molecular weight of 261.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) N,N-dimethylsulfamate is sourced from PubChem (CID 177459902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).