cyclohexane;cyclohexylsulfamic acid

C12H25NO3S — CID 21449022

IUPACcyclohexane;cyclohexylsulfamic acid
SMILESC1CCCCC1.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C6H13NO3S.C6H12/c8-11(9,10)7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2,(H,8,9,10);1-6H2
InChIKeyQUSOPERMXKPLQY-UHFFFAOYSA-N
MW263.40 g/mol
LogP3.05
Rot. Bonds2

About cyclohexane;cyclohexylsulfamic acid

cyclohexane;cyclohexylsulfamic acid (PubChem CID 21449022) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is cyclohexane;cyclohexylsulfamic acid.

Molecular Properties

Compound Namecyclohexane;cyclohexylsulfamic acid
PubChem CID21449022
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Namecyclohexane;cyclohexylsulfamic acid
SMILESC1CCCCC1.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C6H13NO3S.C6H12/c8-11(9,10)7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2,(H,8,9,10);1-6H2
InChIKeyQUSOPERMXKPLQY-UHFFFAOYSA-N
XLogP3.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 53.05
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

Cyclamate
CID 7533
Calcium Cyclamate
CID 8752
Cyclamate calcium dihydrate
CID 22186
N,N'-Dicyclohexylsulfamide
CID 12765315
Magnesium cyclamate
CID 76970195
Barium cyclamate
CID 116171
Bis(cyclohexylammonium)sulfate
CID 159837
Cyclohexylammonium sulfate
CID 57370707
Cyclamate magnesium dihydrate
CID 24438
Aminocyclohexylsulfonic acid, sodium salt
CID 24185711
N-Cyclo-hexyl-ammonium-N-cyclohexylsulfamat
CID 68150055
Barium(2+);cyclohexylsulfamic acid
CID 54605044

Frequently Asked Questions

What is the IUPAC name of cyclohexane;cyclohexylsulfamic acid?
The IUPAC name of cyclohexane;cyclohexylsulfamic acid (CID 21449022) is cyclohexane;cyclohexylsulfamic acid.
What is the SMILES notation for cyclohexane;cyclohexylsulfamic acid?
The canonical SMILES for cyclohexane;cyclohexylsulfamic acid is C1CCCCC1.O=S(=O)(O)NC1CCCCC1.
What is the InChIKey of cyclohexane;cyclohexylsulfamic acid?
The InChIKey is QUSOPERMXKPLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.C6H12/c8-11(9,10)7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2,(H,8,9,10);1-6H2.
What are the key properties of cyclohexane;cyclohexylsulfamic acid?
cyclohexane;cyclohexylsulfamic acid has a molecular weight of 263.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;cyclohexylsulfamic acid is sourced from PubChem (CID 21449022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).