(1-methylcyclohexyl)sulfamic acid

C7H15NO3S — CID 102317310

IUPAC(1-methylcyclohexyl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)CCCCC1
InChIInChI=1S/C7H15NO3S/c1-7(8-12(9,10)11)5-3-2-4-6-7/h8H,2-6H2,1H3,(H,9,10,11)
InChIKeyBLQREGLXILXMKR-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.10
Rot. Bonds2

About (1-methylcyclohexyl)sulfamic acid

(1-methylcyclohexyl)sulfamic acid (PubChem CID 102317310) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (1-methylcyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(1-methylcyclohexyl)sulfamic acid
PubChem CID102317310
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(1-methylcyclohexyl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)CCCCC1
InChIInChI=1S/C7H15NO3S/c1-7(8-12(9,10)11)5-3-2-4-6-7/h8H,2-6H2,1H3,(H,9,10,11)
InChIKeyBLQREGLXILXMKR-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (1-methylcyclohexyl)sulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)sulfamic acid?
The IUPAC name of (1-methylcyclohexyl)sulfamic acid (CID 102317310) is (1-methylcyclohexyl)sulfamic acid.
What is the SMILES notation for (1-methylcyclohexyl)sulfamic acid?
The canonical SMILES for (1-methylcyclohexyl)sulfamic acid is CC1(NS(=O)(=O)O)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)sulfamic acid?
The InChIKey is BLQREGLXILXMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(8-12(9,10)11)5-3-2-4-6-7/h8H,2-6H2,1H3,(H,9,10,11).
What are the key properties of (1-methylcyclohexyl)sulfamic acid?
(1-methylcyclohexyl)sulfamic acid has a molecular weight of 193.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)sulfamic acid is sourced from PubChem (CID 102317310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).