N-(sulfonylamino)cyclohexanamine

C6H12N2O2S — CID 154419576

IUPACN-(sulfonylamino)cyclohexanamine
SMILESO=S(=O)=NNC1CCCCC1
InChIInChI=1S/C6H12N2O2S/c9-11(10)8-7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyCRJQFEDFKGRURP-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.89
Rot. Bonds2

About N-(sulfonylamino)cyclohexanamine

N-(sulfonylamino)cyclohexanamine (PubChem CID 154419576) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(sulfonylamino)cyclohexanamine.

Molecular Properties

Compound NameN-(sulfonylamino)cyclohexanamine
PubChem CID154419576
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(sulfonylamino)cyclohexanamine
SMILESO=S(=O)=NNC1CCCCC1
InChIInChI=1S/C6H12N2O2S/c9-11(10)8-7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyCRJQFEDFKGRURP-UHFFFAOYSA-N
XLogP0.89
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(sulfonylamino)cyclohexanamine?
The IUPAC name of N-(sulfonylamino)cyclohexanamine (CID 154419576) is N-(sulfonylamino)cyclohexanamine.
What is the SMILES notation for N-(sulfonylamino)cyclohexanamine?
The canonical SMILES for N-(sulfonylamino)cyclohexanamine is O=S(=O)=NNC1CCCCC1.
What is the InChIKey of N-(sulfonylamino)cyclohexanamine?
The InChIKey is CRJQFEDFKGRURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c9-11(10)8-7-6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of N-(sulfonylamino)cyclohexanamine?
N-(sulfonylamino)cyclohexanamine has a molecular weight of 176.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(sulfonylamino)cyclohexanamine is sourced from PubChem (CID 154419576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).