2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide

C11H22N2O3S — CID 47066805

IUPAC2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)CC1CCCCC1
InChIInChI=1S/C11H22N2O3S/c12-17(15,16)8-4-7-13-11(14)9-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)(H2,12,15,16)
InChIKeyUEQUCKBMPBOFTH-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.75
Rot. Bonds6

About 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide

2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide (PubChem CID 47066805) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide
PubChem CID47066805
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)CC1CCCCC1
InChIInChI=1S/C11H22N2O3S/c12-17(15,16)8-4-7-13-11(14)9-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)(H2,12,15,16)
InChIKeyUEQUCKBMPBOFTH-UHFFFAOYSA-N
XLogP0.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide (CID 47066805) is 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide is NS(=O)(=O)CCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide?
The InChIKey is UEQUCKBMPBOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-17(15,16)8-4-7-13-11(14)9-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)(H2,12,15,16).
What are the key properties of 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide?
2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide has a molecular weight of 262.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide is sourced from PubChem (CID 47066805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).