N,N'-diethylmethanedisulfonamide

C5H14N2O4S2 — CID 90121632

IUPACN,N'-diethylmethanedisulfonamide
SMILESCCNS(=O)(=O)CS(=O)(=O)NCC
InChIInChI=1S/C5H14N2O4S2/c1-3-6-12(8,9)5-13(10,11)7-4-2/h6-7H,3-5H2,1-2H3
InChIKeyJPBZAFRUMSZKLT-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.18
Rot. Bonds6

About N,N'-diethylmethanedisulfonamide

N,N'-diethylmethanedisulfonamide (PubChem CID 90121632) has the molecular formula C5H14N2O4S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N,N'-diethylmethanedisulfonamide.

Molecular Properties

Compound NameN,N'-diethylmethanedisulfonamide
PubChem CID90121632
Molecular FormulaC5H14N2O4S2
Molecular Weight230.31 g/mol
Exact Mass230.04
IUPAC NameN,N'-diethylmethanedisulfonamide
SMILESCCNS(=O)(=O)CS(=O)(=O)NCC
InChIInChI=1S/C5H14N2O4S2/c1-3-6-12(8,9)5-13(10,11)7-4-2/h6-7H,3-5H2,1-2H3
InChIKeyJPBZAFRUMSZKLT-UHFFFAOYSA-N
XLogP-1.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethylmethanedisulfonamide?
The IUPAC name of N,N'-diethylmethanedisulfonamide (CID 90121632) is N,N'-diethylmethanedisulfonamide.
What is the SMILES notation for N,N'-diethylmethanedisulfonamide?
The canonical SMILES for N,N'-diethylmethanedisulfonamide is CCNS(=O)(=O)CS(=O)(=O)NCC.
What is the InChIKey of N,N'-diethylmethanedisulfonamide?
The InChIKey is JPBZAFRUMSZKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4S2/c1-3-6-12(8,9)5-13(10,11)7-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of N,N'-diethylmethanedisulfonamide?
N,N'-diethylmethanedisulfonamide has a molecular weight of 230.31 g/mol, XLogP of -1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylmethanedisulfonamide is sourced from PubChem (CID 90121632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).