N-(hexylsulfamoyl)cyclohexanamine

C12H26N2O2S — CID 15569635

IUPACN-(hexylsulfamoyl)cyclohexanamine
SMILESCCCCCCNS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-4-8-11-13-17(15,16)14-12-9-6-5-7-10-12/h12-14H,2-11H2,1H3
InChIKeyTZPSAYTWCCDTAI-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.32
Rot. Bonds8

About N-(hexylsulfamoyl)cyclohexanamine

N-(hexylsulfamoyl)cyclohexanamine (PubChem CID 15569635) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(hexylsulfamoyl)cyclohexanamine.

Molecular Properties

Compound NameN-(hexylsulfamoyl)cyclohexanamine
PubChem CID15569635
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(hexylsulfamoyl)cyclohexanamine
SMILESCCCCCCNS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-4-8-11-13-17(15,16)14-12-9-6-5-7-10-12/h12-14H,2-11H2,1H3
InChIKeyTZPSAYTWCCDTAI-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(hexylsulfamoyl)cyclohexanamine?
The IUPAC name of N-(hexylsulfamoyl)cyclohexanamine (CID 15569635) is N-(hexylsulfamoyl)cyclohexanamine.
What is the SMILES notation for N-(hexylsulfamoyl)cyclohexanamine?
The canonical SMILES for N-(hexylsulfamoyl)cyclohexanamine is CCCCCCNS(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-(hexylsulfamoyl)cyclohexanamine?
The InChIKey is TZPSAYTWCCDTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-3-4-8-11-13-17(15,16)14-12-9-6-5-7-10-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(hexylsulfamoyl)cyclohexanamine?
N-(hexylsulfamoyl)cyclohexanamine has a molecular weight of 262.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexylsulfamoyl)cyclohexanamine is sourced from PubChem (CID 15569635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).