(3,5-dimethoxyphenyl) N,N-dimethylsulfamate

C10H15NO5S — CID 118351208

IUPAC(3,5-dimethoxyphenyl) N,N-dimethylsulfamate
SMILESCOc1cc(OC)cc(OS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H15NO5S/c1-11(2)17(12,13)16-10-6-8(14-3)5-9(7-10)15-4/h5-7H,1-4H3
InChIKeyVNPPBQNMEQNSHR-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.89
Rot. Bonds5

About (3,5-dimethoxyphenyl) N,N-dimethylsulfamate

(3,5-dimethoxyphenyl) N,N-dimethylsulfamate (PubChem CID 118351208) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) N,N-dimethylsulfamate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) N,N-dimethylsulfamate
PubChem CID118351208
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name(3,5-dimethoxyphenyl) N,N-dimethylsulfamate
SMILESCOc1cc(OC)cc(OS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H15NO5S/c1-11(2)17(12,13)16-10-6-8(14-3)5-9(7-10)15-4/h5-7H,1-4H3
InChIKeyVNPPBQNMEQNSHR-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

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Related Compounds

phosphane;1,3,5-trimethoxybenzene
CID 175232895
(3-tert-butylphenyl) N,N-dimethylsulfamate
CID 23557573
(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
CID 177459902
methyl 6-(dimethylsulfamoyloxy)naphthalene-2-carboxylate
CID 102591550
1-chlorosulfonyloxy-3-methoxybenzene
CID 55280544
3,5-dimethoxy-N-methyl-N-propan-2-ylaniline
CID 129265137
[5-(chloromethyl)-2-methoxyphenyl] N,N-dimethylsulfamate
CID 21044514
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
(3,5-dimethoxyphenyl) 2-bromobenzenesulfonate
CID 26944289
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1,3,5-trimethoxybenzene;urea
CID 174919725
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) N,N-dimethylsulfamate?
The IUPAC name of (3,5-dimethoxyphenyl) N,N-dimethylsulfamate (CID 118351208) is (3,5-dimethoxyphenyl) N,N-dimethylsulfamate.
What is the SMILES notation for (3,5-dimethoxyphenyl) N,N-dimethylsulfamate?
The canonical SMILES for (3,5-dimethoxyphenyl) N,N-dimethylsulfamate is COc1cc(OC)cc(OS(=O)(=O)N(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl) N,N-dimethylsulfamate?
The InChIKey is VNPPBQNMEQNSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-11(2)17(12,13)16-10-6-8(14-3)5-9(7-10)15-4/h5-7H,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl) N,N-dimethylsulfamate?
(3,5-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 (3,5-dimethoxyphenyl) N,N-dimethylsulfamate is sourced from PubChem (CID 118351208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).