N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide

C11H26N2O4S2 — CID 126698644

IUPACN-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide
SMILESCCNS(=O)(=O)C(C)CCC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C11H26N2O4S2/c1-6-12-19(16,17)11(5)8-7-10(4)13-18(14,15)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyFYIFQSNUENIBKJ-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.81
Rot. Bonds9

About N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide

N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide (PubChem CID 126698644) has the molecular formula C11H26N2O4S2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide
PubChem CID126698644
Molecular FormulaC11H26N2O4S2
Molecular Weight314.47 g/mol
Exact Mass314.13
IUPAC NameN-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide
SMILESCCNS(=O)(=O)C(C)CCC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C11H26N2O4S2/c1-6-12-19(16,17)11(5)8-7-10(4)13-18(14,15)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyFYIFQSNUENIBKJ-UHFFFAOYSA-N
XLogP0.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide?
The IUPAC name of N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide (CID 126698644) is N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide?
The canonical SMILES for N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide is CCNS(=O)(=O)C(C)CCC(C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide?
The InChIKey is FYIFQSNUENIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4S2/c1-6-12-19(16,17)11(5)8-7-10(4)13-18(14,15)9(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide?
N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide has a molecular weight of 314.47 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(propan-2-ylsulfonylamino)hexane-2-sulfonamide is sourced from PubChem (CID 126698644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).