(2,2-dimethyl-3-phenylpropyl) sulfamate

C11H17NO3S — CID 122528733

IUPAC(2,2-dimethyl-3-phenylpropyl) sulfamate
SMILESCC(C)(COS(N)(=O)=O)Cc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,9-15-16(12,13)14)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,12,13,14)
InChIKeyMYSCYJMIXWBKMQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.48
Rot. Bonds5

About (2,2-dimethyl-3-phenylpropyl) sulfamate

(2,2-dimethyl-3-phenylpropyl) sulfamate (PubChem CID 122528733) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2,2-dimethyl-3-phenylpropyl) sulfamate.

Molecular Properties

Compound Name(2,2-dimethyl-3-phenylpropyl) sulfamate
PubChem CID122528733
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name(2,2-dimethyl-3-phenylpropyl) sulfamate
SMILESCC(C)(COS(N)(=O)=O)Cc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-11(2,9-15-16(12,13)14)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,12,13,14)
InChIKeyMYSCYJMIXWBKMQ-UHFFFAOYSA-N
XLogP1.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethyl-3-phenylpropyl) 2,4,6-trimethylbenzenesulfonate
CID 10970062
(2-hydroxy-2-phenylbutyl) sulfamate
CID 88672538
azane;2,2-dimethylbutylbenzene
CID 175285583
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
2,2-dimethylpentylbenzene
CID 15727699
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
2-(2-methyl-1-phenylpropan-2-yl)peroxyethyl benzenesulfonate
CID 134928197
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate
CID 173057609
azane;ethyl 3-benzylpentane-3-sulfonate
CID 174743200
2-amino-1-phenylpropan-2-ol;sulfo hydrogen sulfate
CID 69452093
N-(ethylsulfamoyl)-2-methyl-1-phenylpropan-2-amine
CID 110628381

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-phenylpropyl) sulfamate?
The IUPAC name of (2,2-dimethyl-3-phenylpropyl) sulfamate (CID 122528733) is (2,2-dimethyl-3-phenylpropyl) sulfamate.
What is the SMILES notation for (2,2-dimethyl-3-phenylpropyl) sulfamate?
The canonical SMILES for (2,2-dimethyl-3-phenylpropyl) sulfamate is CC(C)(COS(N)(=O)=O)Cc1ccccc1.
What is the InChIKey of (2,2-dimethyl-3-phenylpropyl) sulfamate?
The InChIKey is MYSCYJMIXWBKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,9-15-16(12,13)14)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,12,13,14).
What are the key properties of (2,2-dimethyl-3-phenylpropyl) sulfamate?
(2,2-dimethyl-3-phenylpropyl) sulfamate has a molecular weight of 243.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-phenylpropyl) sulfamate is sourced from PubChem (CID 122528733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).