2-methylpentan-2-ylsulfamic acid

C6H15NO3S — CID 87283479

IUPAC2-methylpentan-2-ylsulfamic acid
SMILESCCCC(C)(C)NS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-4-5-6(2,3)7-11(8,9)10/h7H,4-5H2,1-3H3,(H,8,9,10)
InChIKeyVIWBUOBAOHHNEK-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.96
Rot. Bonds4

About 2-methylpentan-2-ylsulfamic acid

2-methylpentan-2-ylsulfamic acid (PubChem CID 87283479) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methylpentan-2-ylsulfamic acid.

Molecular Properties

Compound Name2-methylpentan-2-ylsulfamic acid
PubChem CID87283479
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name2-methylpentan-2-ylsulfamic acid
SMILESCCCC(C)(C)NS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-4-5-6(2,3)7-11(8,9)10/h7H,4-5H2,1-3H3,(H,8,9,10)
InChIKeyVIWBUOBAOHHNEK-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-ylsulfamic acid?
The IUPAC name of 2-methylpentan-2-ylsulfamic acid (CID 87283479) is 2-methylpentan-2-ylsulfamic acid.
What is the SMILES notation for 2-methylpentan-2-ylsulfamic acid?
The canonical SMILES for 2-methylpentan-2-ylsulfamic acid is CCCC(C)(C)NS(=O)(=O)O.
What is the InChIKey of 2-methylpentan-2-ylsulfamic acid?
The InChIKey is VIWBUOBAOHHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-5-6(2,3)7-11(8,9)10/h7H,4-5H2,1-3H3,(H,8,9,10).
What are the key properties of 2-methylpentan-2-ylsulfamic acid?
2-methylpentan-2-ylsulfamic acid has a molecular weight of 181.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-ylsulfamic acid is sourced from PubChem (CID 87283479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).