N-(hexylsulfamoyl)hexan-1-amine

C12H28N2O2S — CID 15569647

IUPACN-(hexylsulfamoyl)hexan-1-amine
SMILESCCCCCCNS(=O)(=O)NCCCCCC
InChIInChI=1S/C12H28N2O2S/c1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyMMIRODNOUWGYLL-UHFFFAOYSA-N
MW264.43 g/mol
LogP2.57
Rot. Bonds12

About N-(hexylsulfamoyl)hexan-1-amine

N-(hexylsulfamoyl)hexan-1-amine (PubChem CID 15569647) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(hexylsulfamoyl)hexan-1-amine.

Molecular Properties

Compound NameN-(hexylsulfamoyl)hexan-1-amine
PubChem CID15569647
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(hexylsulfamoyl)hexan-1-amine
SMILESCCCCCCNS(=O)(=O)NCCCCCC
InChIInChI=1S/C12H28N2O2S/c1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyMMIRODNOUWGYLL-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(hexylsulfamoyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(hexylsulfamoyl)hexan-1-amine?
The IUPAC name of N-(hexylsulfamoyl)hexan-1-amine (CID 15569647) is N-(hexylsulfamoyl)hexan-1-amine.
What is the SMILES notation for N-(hexylsulfamoyl)hexan-1-amine?
The canonical SMILES for N-(hexylsulfamoyl)hexan-1-amine is CCCCCCNS(=O)(=O)NCCCCCC.
What is the InChIKey of N-(hexylsulfamoyl)hexan-1-amine?
The InChIKey is MMIRODNOUWGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(hexylsulfamoyl)hexan-1-amine?
N-(hexylsulfamoyl)hexan-1-amine has a molecular weight of 264.43 g/mol, XLogP of 2.57, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexylsulfamoyl)hexan-1-amine is sourced from PubChem (CID 15569647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).