2,3-dimethylbutylsulfamic acid

C6H15NO3S — CID 57324032

IUPAC2,3-dimethylbutylsulfamic acid
SMILESCC(C)C(C)CNS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-5(2)6(3)4-7-11(8,9)10/h5-7H,4H2,1-3H3,(H,8,9,10)
InChIKeyZVISCDQWBWBHHA-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.67
Rot. Bonds4

About 2,3-dimethylbutylsulfamic acid

2,3-dimethylbutylsulfamic acid (PubChem CID 57324032) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2,3-dimethylbutylsulfamic acid.

Molecular Properties

Compound Name2,3-dimethylbutylsulfamic acid
PubChem CID57324032
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name2,3-dimethylbutylsulfamic acid
SMILESCC(C)C(C)CNS(=O)(=O)O
InChIInChI=1S/C6H15NO3S/c1-5(2)6(3)4-7-11(8,9)10/h5-7H,4H2,1-3H3,(H,8,9,10)
InChIKeyZVISCDQWBWBHHA-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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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Related Compounds

Butylsulfamic acid
CID 3628384
Sulfuric acid, bis(3-methylbutylamine) salt
CID 20836351
Isopentyl ammonium hydrogen sulfate
CID 129852920
2-Methylpropylsulfamic acid
CID 15847245
3-Methylpentan-2-ylsulfamic acid
CID 20542117
4-Methylpentan-2-ylsulfamic acid
CID 20542131
3-Methyl-1-(sulfamoylamino)butane
CID 21345371
3-Methylbutan-2-ylsulfamic acid
CID 21497858
2-Methylbutylsulfamic acid
CID 53672903
3-Methylbutylsulfamic acid
CID 54473409
3-Methyl-1-(sulfinatoamino)butane
CID 57048746
3,3-Dimethylbutylsulfamic acid
CID 57071357

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutylsulfamic acid?
The IUPAC name of 2,3-dimethylbutylsulfamic acid (CID 57324032) is 2,3-dimethylbutylsulfamic acid.
What is the SMILES notation for 2,3-dimethylbutylsulfamic acid?
The canonical SMILES for 2,3-dimethylbutylsulfamic acid is CC(C)C(C)CNS(=O)(=O)O.
What is the InChIKey of 2,3-dimethylbutylsulfamic acid?
The InChIKey is ZVISCDQWBWBHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-5(2)6(3)4-7-11(8,9)10/h5-7H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 2,3-dimethylbutylsulfamic acid?
2,3-dimethylbutylsulfamic acid has a molecular weight of 181.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutylsulfamic acid is sourced from PubChem (CID 57324032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).