cyclohexylsulfamic acid;hydrochloride

C6H14ClNO3S — CID 67875894

IUPACcyclohexylsulfamic acid;hydrochloride
SMILESCl.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C6H13NO3S.ClH/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);1H
InChIKeyOMKVCEDIYIUIMZ-UHFFFAOYSA-N
MW215.70 g/mol
LogP1.13
Rot. Bonds2

About cyclohexylsulfamic acid;hydrochloride

cyclohexylsulfamic acid;hydrochloride (PubChem CID 67875894) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is cyclohexylsulfamic acid;hydrochloride.

Molecular Properties

Compound Namecyclohexylsulfamic acid;hydrochloride
PubChem CID67875894
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC Namecyclohexylsulfamic acid;hydrochloride
SMILESCl.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C6H13NO3S.ClH/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);1H
InChIKeyOMKVCEDIYIUIMZ-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 51.13
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

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CID 68761393
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CID 67466393
CID 67466393
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CID 155625677
(cyclohexylamino)sulfamic acid
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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfamic acid;hydrochloride?
The IUPAC name of cyclohexylsulfamic acid;hydrochloride (CID 67875894) is cyclohexylsulfamic acid;hydrochloride.
What is the SMILES notation for cyclohexylsulfamic acid;hydrochloride?
The canonical SMILES for cyclohexylsulfamic acid;hydrochloride is Cl.O=S(=O)(O)NC1CCCCC1.
What is the InChIKey of cyclohexylsulfamic acid;hydrochloride?
The InChIKey is OMKVCEDIYIUIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.ClH/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);1H.
What are the key properties of cyclohexylsulfamic acid;hydrochloride?
cyclohexylsulfamic acid;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfamic acid;hydrochloride is sourced from PubChem (CID 67875894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).