2-phenylpropan-2-yl N,N-dimethylsulfamate

C11H17NO3S — CID 54182961

IUPAC2-phenylpropan-2-yl N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)OC(C)(C)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,10-8-6-5-7-9-10)15-16(13,14)12(3)4/h5-9H,1-4H3
InChIKeyPDDKSNXCUBJSDR-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.74
Rot. Bonds4

About 2-phenylpropan-2-yl N,N-dimethylsulfamate

2-phenylpropan-2-yl N,N-dimethylsulfamate (PubChem CID 54182961) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-phenylpropan-2-yl N,N-dimethylsulfamate.

Molecular Properties

Compound Name2-phenylpropan-2-yl N,N-dimethylsulfamate
PubChem CID54182961
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-phenylpropan-2-yl N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)OC(C)(C)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,10-8-6-5-7-9-10)15-16(13,14)12(3)4/h5-9H,1-4H3
InChIKeyPDDKSNXCUBJSDR-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl N,N-dimethylsulfamate?
The IUPAC name of 2-phenylpropan-2-yl N,N-dimethylsulfamate (CID 54182961) is 2-phenylpropan-2-yl N,N-dimethylsulfamate.
What is the SMILES notation for 2-phenylpropan-2-yl N,N-dimethylsulfamate?
The canonical SMILES for 2-phenylpropan-2-yl N,N-dimethylsulfamate is CN(C)S(=O)(=O)OC(C)(C)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-yl N,N-dimethylsulfamate?
The InChIKey is PDDKSNXCUBJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,10-8-6-5-7-9-10)15-16(13,14)12(3)4/h5-9H,1-4H3.
What are the key properties of 2-phenylpropan-2-yl N,N-dimethylsulfamate?
2-phenylpropan-2-yl N,N-dimethylsulfamate has a molecular weight of 243.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl N,N-dimethylsulfamate is sourced from PubChem (CID 54182961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).