hydroxy N-(3,3-dimethylbutyl)sulfamate

C6H15NO4S — CID 89218255

IUPAChydroxy N-(3,3-dimethylbutyl)sulfamate
SMILESCC(C)(C)CCNS(=O)(=O)OO
InChIInChI=1S/C6H15NO4S/c1-6(2,3)4-5-7-12(9,10)11-8/h7-8H,4-5H2,1-3H3
InChIKeyHFPBFUMMNVINDQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.75
Rot. Bonds4

About hydroxy N-(3,3-dimethylbutyl)sulfamate

hydroxy N-(3,3-dimethylbutyl)sulfamate (PubChem CID 89218255) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is hydroxy N-(3,3-dimethylbutyl)sulfamate.

Molecular Properties

Compound Namehydroxy N-(3,3-dimethylbutyl)sulfamate
PubChem CID89218255
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Namehydroxy N-(3,3-dimethylbutyl)sulfamate
SMILESCC(C)(C)CCNS(=O)(=O)OO
InChIInChI=1S/C6H15NO4S/c1-6(2,3)4-5-7-12(9,10)11-8/h7-8H,4-5H2,1-3H3
InChIKeyHFPBFUMMNVINDQ-UHFFFAOYSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy N-(3,3-dimethylbutyl)sulfamate?
The IUPAC name of hydroxy N-(3,3-dimethylbutyl)sulfamate (CID 89218255) is hydroxy N-(3,3-dimethylbutyl)sulfamate.
What is the SMILES notation for hydroxy N-(3,3-dimethylbutyl)sulfamate?
The canonical SMILES for hydroxy N-(3,3-dimethylbutyl)sulfamate is CC(C)(C)CCNS(=O)(=O)OO.
What is the InChIKey of hydroxy N-(3,3-dimethylbutyl)sulfamate?
The InChIKey is HFPBFUMMNVINDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S/c1-6(2,3)4-5-7-12(9,10)11-8/h7-8H,4-5H2,1-3H3.
What are the key properties of hydroxy N-(3,3-dimethylbutyl)sulfamate?
hydroxy N-(3,3-dimethylbutyl)sulfamate has a molecular weight of 197.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy N-(3,3-dimethylbutyl)sulfamate is sourced from PubChem (CID 89218255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).