[2,6-di(propan-2-yl)phenyl] sulfamate

C12H19NO3S — CID 15342565

IUPAC[2,6-di(propan-2-yl)phenyl] sulfamate
SMILESCC(C)c1cccc(C(C)C)c1OS(N)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15/h5-9H,1-4H3,(H2,13,14,15)
InChIKeyADHXMRRHLUTERX-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.52
Rot. Bonds4

About [2,6-di(propan-2-yl)phenyl] sulfamate

[2,6-di(propan-2-yl)phenyl] sulfamate (PubChem CID 15342565) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] sulfamate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] sulfamate
PubChem CID15342565
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name[2,6-di(propan-2-yl)phenyl] sulfamate
SMILESCC(C)c1cccc(C(C)C)c1OS(N)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15/h5-9H,1-4H3,(H2,13,14,15)
InChIKeyADHXMRRHLUTERX-UHFFFAOYSA-N
XLogP2.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] sulfamate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] sulfamate (CID 15342565) is [2,6-di(propan-2-yl)phenyl] sulfamate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] sulfamate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] sulfamate is CC(C)c1cccc(C(C)C)c1OS(N)(=O)=O.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] sulfamate?
The InChIKey is ADHXMRRHLUTERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15/h5-9H,1-4H3,(H2,13,14,15).
What are the key properties of [2,6-di(propan-2-yl)phenyl] sulfamate?
[2,6-di(propan-2-yl)phenyl] sulfamate has a molecular weight of 257.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] sulfamate is sourced from PubChem (CID 15342565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).