2,2-dimethylpropylsulfamic acid

C5H13NO3S — CID 54200775

IUPAC2,2-dimethylpropylsulfamic acid
SMILESCC(C)(C)CNS(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-5(2,3)4-6-10(7,8)9/h6H,4H2,1-3H3,(H,7,8,9)
InChIKeyKLCIQIJSLGGVSW-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.42
Rot. Bonds2

About 2,2-dimethylpropylsulfamic acid

2,2-dimethylpropylsulfamic acid (PubChem CID 54200775) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 2,2-dimethylpropylsulfamic acid.

Molecular Properties

Compound Name2,2-dimethylpropylsulfamic acid
PubChem CID54200775
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2,2-dimethylpropylsulfamic acid
SMILESCC(C)(C)CNS(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-5(2,3)4-6-10(7,8)9/h6H,4H2,1-3H3,(H,7,8,9)
InChIKeyKLCIQIJSLGGVSW-UHFFFAOYSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.42
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
Propylsulfamic acid
CID 14979915
2,2-Dimethyl-1-propylamine sulphate
CID 12422959
2-Methylpropylsulfamic acid
CID 15847245
(2-Chloro-2-methylpropyl)sulfamic acid
CID 20542147
2,2-Dimethyl-1-(sulfinatoamino)propane
CID 57030062
2,2-Dimethyl-1-(sulfinoamino)propane
CID 57030063
3,3-Dimethylbutylsulfamic acid
CID 57071357
2,2-Dimethyl-1-(sulfamoylamino)propane
CID 57664610
2-Methyl-1-[tritio(tritiooxysulfinyl)amino]propane
CID 58826086
2-Methylpropylsulfamic acid;hydrofluoride
CID 88745349
2-Methylpropylsulfamic acid;hydrochloride
CID 88745474

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylsulfamic acid?
The IUPAC name of 2,2-dimethylpropylsulfamic acid (CID 54200775) is 2,2-dimethylpropylsulfamic acid.
What is the SMILES notation for 2,2-dimethylpropylsulfamic acid?
The canonical SMILES for 2,2-dimethylpropylsulfamic acid is CC(C)(C)CNS(=O)(=O)O.
What is the InChIKey of 2,2-dimethylpropylsulfamic acid?
The InChIKey is KLCIQIJSLGGVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-5(2,3)4-6-10(7,8)9/h6H,4H2,1-3H3,(H,7,8,9).
What are the key properties of 2,2-dimethylpropylsulfamic acid?
2,2-dimethylpropylsulfamic acid has a molecular weight of 167.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylsulfamic acid is sourced from PubChem (CID 54200775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).