cyclohexylmethylsulfamic acid

C7H15NO3S — CID 67465635

IUPACcyclohexylmethylsulfamic acid
SMILESO=S(=O)(O)NCC1CCCCC1
InChIInChI=1S/C7H15NO3S/c9-12(10,11)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10,11)
InChIKeyPQULSVVANDRAIG-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.96
Rot. Bonds3

About cyclohexylmethylsulfamic acid

cyclohexylmethylsulfamic acid (PubChem CID 67465635) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is cyclohexylmethylsulfamic acid.

Molecular Properties

Compound Namecyclohexylmethylsulfamic acid
PubChem CID67465635
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Namecyclohexylmethylsulfamic acid
SMILESO=S(=O)(O)NCC1CCCCC1
InChIInChI=1S/C7H15NO3S/c9-12(10,11)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10,11)
InChIKeyPQULSVVANDRAIG-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.96
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 cyclohexylmethylsulfamic acid?
The IUPAC name of cyclohexylmethylsulfamic acid (CID 67465635) is cyclohexylmethylsulfamic acid.
What is the SMILES notation for cyclohexylmethylsulfamic acid?
The canonical SMILES for cyclohexylmethylsulfamic acid is O=S(=O)(O)NCC1CCCCC1.
What is the InChIKey of cyclohexylmethylsulfamic acid?
The InChIKey is PQULSVVANDRAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c9-12(10,11)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10,11).
What are the key properties of cyclohexylmethylsulfamic acid?
cyclohexylmethylsulfamic acid has a molecular weight of 193.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylsulfamic acid is sourced from PubChem (CID 67465635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).