2-methylhexan-2-ylsulfamic acid

C7H17NO3S — CID 87283233

IUPAC2-methylhexan-2-ylsulfamic acid
SMILESCCCCC(C)(C)NS(=O)(=O)O
InChIInChI=1S/C7H17NO3S/c1-4-5-6-7(2,3)8-12(9,10)11/h8H,4-6H2,1-3H3,(H,9,10,11)
InChIKeyMCIPBTYUIVPUCM-UHFFFAOYSA-N
MW195.28 g/mol
LogP1.35
Rot. Bonds5

About 2-methylhexan-2-ylsulfamic acid

2-methylhexan-2-ylsulfamic acid (PubChem CID 87283233) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-methylhexan-2-ylsulfamic acid.

Molecular Properties

Compound Name2-methylhexan-2-ylsulfamic acid
PubChem CID87283233
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2-methylhexan-2-ylsulfamic acid
SMILESCCCCC(C)(C)NS(=O)(=O)O
InChIInChI=1S/C7H17NO3S/c1-4-5-6-7(2,3)8-12(9,10)11/h8H,4-6H2,1-3H3,(H,9,10,11)
InChIKeyMCIPBTYUIVPUCM-UHFFFAOYSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 51.35
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-methylhexan-2-ylsulfamic acid?
The IUPAC name of 2-methylhexan-2-ylsulfamic acid (CID 87283233) is 2-methylhexan-2-ylsulfamic acid.
What is the SMILES notation for 2-methylhexan-2-ylsulfamic acid?
The canonical SMILES for 2-methylhexan-2-ylsulfamic acid is CCCCC(C)(C)NS(=O)(=O)O.
What is the InChIKey of 2-methylhexan-2-ylsulfamic acid?
The InChIKey is MCIPBTYUIVPUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-4-5-6-7(2,3)8-12(9,10)11/h8H,4-6H2,1-3H3,(H,9,10,11).
What are the key properties of 2-methylhexan-2-ylsulfamic acid?
2-methylhexan-2-ylsulfamic acid has a molecular weight of 195.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-ylsulfamic acid is sourced from PubChem (CID 87283233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).