(2-hydroxyphenyl) N,N-dimethylsulfamate

C8H11NO4S — CID 86147551

IUPAC(2-hydroxyphenyl) N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C8H11NO4S/c1-9(2)14(11,12)13-8-6-4-3-5-7(8)10/h3-6,10H,1-2H3
InChIKeyBYCQMIIAYZVOJK-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.58
Rot. Bonds3

About (2-hydroxyphenyl) N,N-dimethylsulfamate

(2-hydroxyphenyl) N,N-dimethylsulfamate (PubChem CID 86147551) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2-hydroxyphenyl) N,N-dimethylsulfamate.

Molecular Properties

Compound Name(2-hydroxyphenyl) N,N-dimethylsulfamate
PubChem CID86147551
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name(2-hydroxyphenyl) N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C8H11NO4S/c1-9(2)14(11,12)13-8-6-4-3-5-7(8)10/h3-6,10H,1-2H3
InChIKeyBYCQMIIAYZVOJK-UHFFFAOYSA-N
XLogP0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-hydroxyphenyl) 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

sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide
CID 88679243
(2-hydroxyphenyl) methanesulfonate
CID 13248339
(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
CID 177459902
methanesulfonic acid;2-methoxyphenol
CID 71332079
azane;2-methoxyphenol
CID 172717837
(2-hydroxyphenyl) N-cyclohexylsulfamate
CID 12649337
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
2-methoxyphenol;oxalic acid
CID 162319729
2-methoxyphenol;molecular bromine
CID 141484212
methanethiol;2-methoxyphenol
CID 141484211
2-methylperoxyphenol
CID 18702042
(3-tert-butylphenyl) N,N-dimethylsulfamate
CID 23557573

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) N,N-dimethylsulfamate?
The IUPAC name of (2-hydroxyphenyl) N,N-dimethylsulfamate (CID 86147551) is (2-hydroxyphenyl) N,N-dimethylsulfamate.
What is the SMILES notation for (2-hydroxyphenyl) N,N-dimethylsulfamate?
The canonical SMILES for (2-hydroxyphenyl) N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) N,N-dimethylsulfamate?
The InChIKey is BYCQMIIAYZVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-9(2)14(11,12)13-8-6-4-3-5-7(8)10/h3-6,10H,1-2H3.
What are the key properties of (2-hydroxyphenyl) N,N-dimethylsulfamate?
(2-hydroxyphenyl) N,N-dimethylsulfamate has a molecular weight of 217.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) N,N-dimethylsulfamate is sourced from PubChem (CID 86147551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).