1-cyclohexylethylsulfamic acid

C8H17NO3S — CID 23466966

IUPAC1-cyclohexylethylsulfamic acid
SMILESCC(NS(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C8H17NO3S/c1-7(9-13(10,11)12)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3,(H,10,11,12)
InChIKeyIVTQBWQZERWLHR-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.35
Rot. Bonds3

About 1-cyclohexylethylsulfamic acid

1-cyclohexylethylsulfamic acid (PubChem CID 23466966) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-cyclohexylethylsulfamic acid.

Molecular Properties

Compound Name1-cyclohexylethylsulfamic acid
PubChem CID23466966
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-cyclohexylethylsulfamic acid
SMILESCC(NS(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C8H17NO3S/c1-7(9-13(10,11)12)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3,(H,10,11,12)
InChIKeyIVTQBWQZERWLHR-UHFFFAOYSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.35
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 1-cyclohexylethylsulfamic acid?
The IUPAC name of 1-cyclohexylethylsulfamic acid (CID 23466966) is 1-cyclohexylethylsulfamic acid.
What is the SMILES notation for 1-cyclohexylethylsulfamic acid?
The canonical SMILES for 1-cyclohexylethylsulfamic acid is CC(NS(=O)(=O)O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethylsulfamic acid?
The InChIKey is IVTQBWQZERWLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(9-13(10,11)12)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 1-cyclohexylethylsulfamic acid?
1-cyclohexylethylsulfamic acid has a molecular weight of 207.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethylsulfamic acid is sourced from PubChem (CID 23466966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).