cyclohexylsulfamic acid;pyridine

C11H18N2O3S — CID 67576089

IUPACcyclohexylsulfamic acid;pyridine
SMILESO=S(=O)(O)NC1CCCCC1.c1ccncc1
InChIInChI=1S/C6H13NO3S.C5H5N/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);1-5H
InChIKeyDKWDDPXKTIWVGX-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.79
Rot. Bonds2

About cyclohexylsulfamic acid;pyridine

cyclohexylsulfamic acid;pyridine (PubChem CID 67576089) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is cyclohexylsulfamic acid;pyridine.

Molecular Properties

Compound Namecyclohexylsulfamic acid;pyridine
PubChem CID67576089
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Namecyclohexylsulfamic acid;pyridine
SMILESO=S(=O)(O)NC1CCCCC1.c1ccncc1
InChIInChI=1S/C6H13NO3S.C5H5N/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);1-5H
InChIKeyDKWDDPXKTIWVGX-UHFFFAOYSA-N
XLogP1.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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(2S)-2-aminopropanoic acid;cyclohexylsulfamic acid
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CID 67466393
CID 67466393
bis(pyridine);sulfuric acid
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N-benzyl-N-methylethanamine;cyclohexylsulfamic acid
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(cyclohexylamino)sulfamic acid
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N-(cyclohexylsulfamoyl)pyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfamic acid;pyridine?
The IUPAC name of cyclohexylsulfamic acid;pyridine (CID 67576089) is cyclohexylsulfamic acid;pyridine.
What is the SMILES notation for cyclohexylsulfamic acid;pyridine?
The canonical SMILES for cyclohexylsulfamic acid;pyridine is O=S(=O)(O)NC1CCCCC1.c1ccncc1.
What is the InChIKey of cyclohexylsulfamic acid;pyridine?
The InChIKey is DKWDDPXKTIWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.C5H5N/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);1-5H.
What are the key properties of cyclohexylsulfamic acid;pyridine?
cyclohexylsulfamic acid;pyridine has a molecular weight of 258.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfamic acid;pyridine is sourced from PubChem (CID 67576089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).