(2,2,3-trimethylcyclopropyl)sulfamic acid

C6H13NO3S — CID 130218353

IUPAC(2,2,3-trimethylcyclopropyl)sulfamic acid
SMILESCC1C(NS(=O)(=O)O)C1(C)C
InChIInChI=1S/C6H13NO3S/c1-4-5(6(4,2)3)7-11(8,9)10/h4-5,7H,1-3H3,(H,8,9,10)
InChIKeyADAKSOZOUGZLOF-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.42
Rot. Bonds2

About (2,2,3-trimethylcyclopropyl)sulfamic acid

(2,2,3-trimethylcyclopropyl)sulfamic acid (PubChem CID 130218353) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (2,2,3-trimethylcyclopropyl)sulfamic acid.

Molecular Properties

Compound Name(2,2,3-trimethylcyclopropyl)sulfamic acid
PubChem CID130218353
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(2,2,3-trimethylcyclopropyl)sulfamic acid
SMILESCC1C(NS(=O)(=O)O)C1(C)C
InChIInChI=1S/C6H13NO3S/c1-4-5(6(4,2)3)7-11(8,9)10/h4-5,7H,1-3H3,(H,8,9,10)
InChIKeyADAKSOZOUGZLOF-UHFFFAOYSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
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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Frequently Asked Questions

What is the IUPAC name of (2,2,3-trimethylcyclopropyl)sulfamic acid?
The IUPAC name of (2,2,3-trimethylcyclopropyl)sulfamic acid (CID 130218353) is (2,2,3-trimethylcyclopropyl)sulfamic acid.
What is the SMILES notation for (2,2,3-trimethylcyclopropyl)sulfamic acid?
The canonical SMILES for (2,2,3-trimethylcyclopropyl)sulfamic acid is CC1C(NS(=O)(=O)O)C1(C)C.
What is the InChIKey of (2,2,3-trimethylcyclopropyl)sulfamic acid?
The InChIKey is ADAKSOZOUGZLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-4-5(6(4,2)3)7-11(8,9)10/h4-5,7H,1-3H3,(H,8,9,10).
What are the key properties of (2,2,3-trimethylcyclopropyl)sulfamic acid?
(2,2,3-trimethylcyclopropyl)sulfamic acid has a molecular weight of 179.24 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 (2,2,3-trimethylcyclopropyl)sulfamic acid is sourced from PubChem (CID 130218353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).