N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide

C12H26N2O4S2 — CID 137414174

IUPACN-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide
SMILESCC(C)NS(=O)(=O)CCCCC(C)NS(=O)(=O)C1CC1
InChIInChI=1S/C12H26N2O4S2/c1-10(2)13-19(15,16)9-5-4-6-11(3)14-20(17,18)12-7-8-12/h10-14H,4-9H2,1-3H3
InChIKeyYKRGLWMVSALIQD-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.95
Rot. Bonds10

About N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide

N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide (PubChem CID 137414174) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide
PubChem CID137414174
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC NameN-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide
SMILESCC(C)NS(=O)(=O)CCCCC(C)NS(=O)(=O)C1CC1
InChIInChI=1S/C12H26N2O4S2/c1-10(2)13-19(15,16)9-5-4-6-11(3)14-20(17,18)12-7-8-12/h10-14H,4-9H2,1-3H3
InChIKeyYKRGLWMVSALIQD-UHFFFAOYSA-N
XLogP0.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide (CID 137414174) is N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide is CC(C)NS(=O)(=O)CCCCC(C)NS(=O)(=O)C1CC1.
What is the InChIKey of N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide?
The InChIKey is YKRGLWMVSALIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-10(2)13-19(15,16)9-5-4-6-11(3)14-20(17,18)12-7-8-12/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide?
N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide has a molecular weight of 326.48 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(propan-2-ylsulfamoyl)hexan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 137414174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).