1-[hexyl(sulfamoyl)amino]hexane

C12H28N2O2S — CID 54409356

IUPAC1-[hexyl(sulfamoyl)amino]hexane
SMILESCCCCCCN(CCCCCC)S(N)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-3-5-7-9-11-14(17(13,15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H2,13,15,16)
InChIKeyVRUUGHJTWCPIGT-UHFFFAOYSA-N
MW264.43 g/mol
LogP2.65
Rot. Bonds11

About 1-[hexyl(sulfamoyl)amino]hexane

1-[hexyl(sulfamoyl)amino]hexane (PubChem CID 54409356) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-[hexyl(sulfamoyl)amino]hexane.

Molecular Properties

Compound Name1-[hexyl(sulfamoyl)amino]hexane
PubChem CID54409356
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC Name1-[hexyl(sulfamoyl)amino]hexane
SMILESCCCCCCN(CCCCCC)S(N)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-3-5-7-9-11-14(17(13,15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H2,13,15,16)
InChIKeyVRUUGHJTWCPIGT-UHFFFAOYSA-N
XLogP2.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 1-[hexyl(sulfamoyl)amino]hexane?
The IUPAC name of 1-[hexyl(sulfamoyl)amino]hexane (CID 54409356) is 1-[hexyl(sulfamoyl)amino]hexane.
What is the SMILES notation for 1-[hexyl(sulfamoyl)amino]hexane?
The canonical SMILES for 1-[hexyl(sulfamoyl)amino]hexane is CCCCCCN(CCCCCC)S(N)(=O)=O.
What is the InChIKey of 1-[hexyl(sulfamoyl)amino]hexane?
The InChIKey is VRUUGHJTWCPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-3-5-7-9-11-14(17(13,15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-[hexyl(sulfamoyl)amino]hexane?
1-[hexyl(sulfamoyl)amino]hexane has a molecular weight of 264.43 g/mol, XLogP of 2.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hexyl(sulfamoyl)amino]hexane is sourced from PubChem (CID 54409356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).