[4-(dimethylamino)phenyl] N,N-dimethylsulfamate

C10H16N2O3S — CID 44622899

IUPAC[4-(dimethylamino)phenyl] N,N-dimethylsulfamate
SMILESCN(C)c1ccc(OS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H16N2O3S/c1-11(2)9-5-7-10(8-6-9)15-16(13,14)12(3)4/h5-8H,1-4H3
InChIKeyJNIACOOFQULNIB-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.94
Rot. Bonds4

About [4-(dimethylamino)phenyl] N,N-dimethylsulfamate

[4-(dimethylamino)phenyl] N,N-dimethylsulfamate (PubChem CID 44622899) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl] N,N-dimethylsulfamate
PubChem CID44622899
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name[4-(dimethylamino)phenyl] N,N-dimethylsulfamate
SMILESCN(C)c1ccc(OS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H16N2O3S/c1-11(2)9-5-7-10(8-6-9)15-16(13,14)12(3)4/h5-8H,1-4H3
InChIKeyJNIACOOFQULNIB-UHFFFAOYSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-(dimethylamino)phenyl] N,N-dimethylsulfamate (CID 44622899) is [4-(dimethylamino)phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-(dimethylamino)phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-(dimethylamino)phenyl] N,N-dimethylsulfamate is CN(C)c1ccc(OS(=O)(=O)N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl] N,N-dimethylsulfamate?
The InChIKey is JNIACOOFQULNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-11(2)9-5-7-10(8-6-9)15-16(13,14)12(3)4/h5-8H,1-4H3.
What are the key properties of [4-(dimethylamino)phenyl] N,N-dimethylsulfamate?
[4-(dimethylamino)phenyl] N,N-dimethylsulfamate has a molecular weight of 244.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 44622899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).