cyclohexyl(propyl)sulfamic acid

C9H19NO3S — CID 54153691

IUPACcyclohexyl(propyl)sulfamic acid
SMILESCCCN(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C9H19NO3S/c1-2-8-10(14(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,11,12,13)
InChIKeyOJNQCHGCIUGSDT-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.83
Rot. Bonds4

About cyclohexyl(propyl)sulfamic acid

cyclohexyl(propyl)sulfamic acid (PubChem CID 54153691) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is cyclohexyl(propyl)sulfamic acid.

Molecular Properties

Compound Namecyclohexyl(propyl)sulfamic acid
PubChem CID54153691
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Namecyclohexyl(propyl)sulfamic acid
SMILESCCCN(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C9H19NO3S/c1-2-8-10(14(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,11,12,13)
InChIKeyOJNQCHGCIUGSDT-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 cyclohexyl(propyl)sulfamic acid?
The IUPAC name of cyclohexyl(propyl)sulfamic acid (CID 54153691) is cyclohexyl(propyl)sulfamic acid.
What is the SMILES notation for cyclohexyl(propyl)sulfamic acid?
The canonical SMILES for cyclohexyl(propyl)sulfamic acid is CCCN(C1CCCCC1)S(=O)(=O)O.
What is the InChIKey of cyclohexyl(propyl)sulfamic acid?
The InChIKey is OJNQCHGCIUGSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-8-10(14(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,11,12,13).
What are the key properties of cyclohexyl(propyl)sulfamic acid?
cyclohexyl(propyl)sulfamic acid has a molecular weight of 221.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(propyl)sulfamic acid is sourced from PubChem (CID 54153691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).