cyclononylsulfamic acid

C9H19NO3S — CID 67135870

IUPACcyclononylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCCCCC1
InChIInChI=1S/C9H19NO3S/c11-14(12,13)10-9-7-5-3-1-2-4-6-8-9/h9-10H,1-8H2,(H,11,12,13)
InChIKeyNGQCNZGREBJKJU-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.88
Rot. Bonds2

About cyclononylsulfamic acid

cyclononylsulfamic acid (PubChem CID 67135870) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is cyclononylsulfamic acid.

Molecular Properties

Compound Namecyclononylsulfamic acid
PubChem CID67135870
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Namecyclononylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCCCCC1
InChIInChI=1S/C9H19NO3S/c11-14(12,13)10-9-7-5-3-1-2-4-6-8-9/h9-10H,1-8H2,(H,11,12,13)
InChIKeyNGQCNZGREBJKJU-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.88
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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Related Compounds

CID 68761393
CID 68761393
cyclohexylsulfamic acid;hydrochloride
CID 67875894
cyclopentylsulfamic acid
CID 21123026
cyclohexylsulfamic acid;pyridine
CID 67576089
CID 67466393
CID 67466393
thiocan-4-ylsulfamic acid
CID 14594156
(2S)-2-aminopropanoic acid;cyclohexylsulfamic acid
CID 67762243
N-cyclohexylsulfamoyl iodide
CID 155625677
(cyclohexylamino)sulfamic acid
CID 69388052
cyclohexylsulfamic acid;octadecanoic acid
CID 158910337
N-cycloheptylmethanesulfonamide
CID 3113423
thian-3-ylsulfamic acid
CID 14594130

Frequently Asked Questions

What is the IUPAC name of cyclononylsulfamic acid?
The IUPAC name of cyclononylsulfamic acid (CID 67135870) is cyclononylsulfamic acid.
What is the SMILES notation for cyclononylsulfamic acid?
The canonical SMILES for cyclononylsulfamic acid is O=S(=O)(O)NC1CCCCCCCC1.
What is the InChIKey of cyclononylsulfamic acid?
The InChIKey is NGQCNZGREBJKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c11-14(12,13)10-9-7-5-3-1-2-4-6-8-9/h9-10H,1-8H2,(H,11,12,13).
What are the key properties of cyclononylsulfamic acid?
cyclononylsulfamic acid has a molecular weight of 221.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononylsulfamic acid is sourced from PubChem (CID 67135870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).