naphthalen-1-amine;(sulfamoylamino)cyclohexane

C16H23N3O2S — CID 158467911

IUPACnaphthalen-1-amine;(sulfamoylamino)cyclohexane
SMILESNS(=O)(=O)NC1CCCCC1.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C6H14N2O2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-11(9,10)8-6-4-2-1-3-5-6/h1-7H,11H2;6,8H,1-5H2,(H2,7,9,10)
InChIKeyHFZFTKZUQXCPSG-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.53
Rot. Bonds2

About naphthalen-1-amine;(sulfamoylamino)cyclohexane

naphthalen-1-amine;(sulfamoylamino)cyclohexane (PubChem CID 158467911) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is naphthalen-1-amine;(sulfamoylamino)cyclohexane.

Molecular Properties

Compound Namenaphthalen-1-amine;(sulfamoylamino)cyclohexane
PubChem CID158467911
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Namenaphthalen-1-amine;(sulfamoylamino)cyclohexane
SMILESNS(=O)(=O)NC1CCCCC1.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C6H14N2O2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-11(9,10)8-6-4-2-1-3-5-6/h1-7H,11H2;6,8H,1-5H2,(H2,7,9,10)
InChIKeyHFZFTKZUQXCPSG-UHFFFAOYSA-N
XLogP2.53
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-amine;(sulfamoylamino)cyclohexane?
The IUPAC name of naphthalen-1-amine;(sulfamoylamino)cyclohexane (CID 158467911) is naphthalen-1-amine;(sulfamoylamino)cyclohexane.
What is the SMILES notation for naphthalen-1-amine;(sulfamoylamino)cyclohexane?
The canonical SMILES for naphthalen-1-amine;(sulfamoylamino)cyclohexane is NS(=O)(=O)NC1CCCCC1.Nc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-amine;(sulfamoylamino)cyclohexane?
The InChIKey is HFZFTKZUQXCPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C6H14N2O2S/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-11(9,10)8-6-4-2-1-3-5-6/h1-7H,11H2;6,8H,1-5H2,(H2,7,9,10).
What are the key properties of naphthalen-1-amine;(sulfamoylamino)cyclohexane?
naphthalen-1-amine;(sulfamoylamino)cyclohexane has a molecular weight of 321.45 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-amine;(sulfamoylamino)cyclohexane is sourced from PubChem (CID 158467911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).