N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide

C13H26N2O4S2 — CID 99838599

IUPACN,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide
SMILESCCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(CC)C1CC1
InChIInChI=1S/C13H26N2O4S2/c1-3-14(12-6-7-12)20(16,17)10-5-11-21(18,19)15(4-2)13-8-9-13/h12-13H,3-11H2,1-2H3
InChIKeyUJKKBHVNPREASF-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.00
Rot. Bonds10

About N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide

N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide (PubChem CID 99838599) has the molecular formula C13H26N2O4S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide.

Molecular Properties

Compound NameN,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide
PubChem CID99838599
Molecular FormulaC13H26N2O4S2
Molecular Weight338.50 g/mol
Exact Mass338.13
IUPAC NameN,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide
SMILESCCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(CC)C1CC1
InChIInChI=1S/C13H26N2O4S2/c1-3-14(12-6-7-12)20(16,17)10-5-11-21(18,19)15(4-2)13-8-9-13/h12-13H,3-11H2,1-2H3
InChIKeyUJKKBHVNPREASF-UHFFFAOYSA-N
XLogP1.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide?
The IUPAC name of N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide (CID 99838599) is N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide.
What is the SMILES notation for N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide?
The canonical SMILES for N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide is CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(CC)C1CC1.
What is the InChIKey of N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide?
The InChIKey is UJKKBHVNPREASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S2/c1-3-14(12-6-7-12)20(16,17)10-5-11-21(18,19)15(4-2)13-8-9-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide?
N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide has a molecular weight of 338.50 g/mol, XLogP of 1.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-N,N'-diethylpropane-1,3-disulfonamide is sourced from PubChem (CID 99838599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).