(cyclohexylamino)sulfamic acid

C6H14N2O3S — CID 69388052

IUPAC(cyclohexylamino)sulfamic acid
SMILESO=S(=O)(O)NNC1CCCCC1
InChIInChI=1S/C6H14N2O3S/c9-12(10,11)8-7-6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10,11)
InChIKeyKMOLXQFDKVVUEY-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.22
Rot. Bonds3

About (cyclohexylamino)sulfamic acid

(cyclohexylamino)sulfamic acid (PubChem CID 69388052) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (cyclohexylamino)sulfamic acid.

Molecular Properties

Compound Name(cyclohexylamino)sulfamic acid
PubChem CID69388052
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(cyclohexylamino)sulfamic acid
SMILESO=S(=O)(O)NNC1CCCCC1
InChIInChI=1S/C6H14N2O3S/c9-12(10,11)8-7-6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10,11)
InChIKeyKMOLXQFDKVVUEY-UHFFFAOYSA-N
XLogP0.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)sulfamic acid?
The IUPAC name of (cyclohexylamino)sulfamic acid (CID 69388052) is (cyclohexylamino)sulfamic acid.
What is the SMILES notation for (cyclohexylamino)sulfamic acid?
The canonical SMILES for (cyclohexylamino)sulfamic acid is O=S(=O)(O)NNC1CCCCC1.
What is the InChIKey of (cyclohexylamino)sulfamic acid?
The InChIKey is KMOLXQFDKVVUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c9-12(10,11)8-7-6-4-2-1-3-5-6/h6-8H,1-5H2,(H,9,10,11).
What are the key properties of (cyclohexylamino)sulfamic acid?
(cyclohexylamino)sulfamic acid has a molecular weight of 194.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)sulfamic acid is sourced from PubChem (CID 69388052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).