(4,6-dimethyl-2-pyridinyl)sulfamic acid

C7H10N2O3S — CID 45096800

IUPAC(4,6-dimethyl-2-pyridinyl)sulfamic acid
SMILESCc1cc(C)nc(NS(=O)(=O)O)c1
InChIInChI=1S/C7H10N2O3S/c1-5-3-6(2)8-7(4-5)9-13(10,11)12/h3-4H,1-2H3,(H,8,9)(H,10,11,12)
InChIKeyYQCIKTQGZBMVLT-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.91
Rot. Bonds2

About (4,6-dimethyl-2-pyridinyl)sulfamic acid

(4,6-dimethyl-2-pyridinyl)sulfamic acid (PubChem CID 45096800) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is (4,6-dimethyl-2-pyridinyl)sulfamic acid.

Molecular Properties

Compound Name(4,6-dimethyl-2-pyridinyl)sulfamic acid
PubChem CID45096800
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name(4,6-dimethyl-2-pyridinyl)sulfamic acid
SMILESCc1cc(C)nc(NS(=O)(=O)O)c1
InChIInChI=1S/C7H10N2O3S/c1-5-3-6(2)8-7(4-5)9-13(10,11)12/h3-4H,1-2H3,(H,8,9)(H,10,11,12)
InChIKeyYQCIKTQGZBMVLT-UHFFFAOYSA-N
XLogP0.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4,6-dimethyl-2-pyridinyl)sulfamic acid?
The IUPAC name of (4,6-dimethyl-2-pyridinyl)sulfamic acid (CID 45096800) is (4,6-dimethyl-2-pyridinyl)sulfamic acid.
What is the SMILES notation for (4,6-dimethyl-2-pyridinyl)sulfamic acid?
The canonical SMILES for (4,6-dimethyl-2-pyridinyl)sulfamic acid is Cc1cc(C)nc(NS(=O)(=O)O)c1.
What is the InChIKey of (4,6-dimethyl-2-pyridinyl)sulfamic acid?
The InChIKey is YQCIKTQGZBMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-5-3-6(2)8-7(4-5)9-13(10,11)12/h3-4H,1-2H3,(H,8,9)(H,10,11,12).
What are the key properties of (4,6-dimethyl-2-pyridinyl)sulfamic acid?
(4,6-dimethyl-2-pyridinyl)sulfamic acid has a molecular weight of 202.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2-pyridinyl)sulfamic acid is sourced from PubChem (CID 45096800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).