N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide

C6H16N2O4S2 — CID 82842362

IUPACN-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCCNCCNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C6H16N2O4S2/c1-3-7-4-5-8-14(11,12)6-13(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyAPYGQZQYMLBOSH-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.48
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide

N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82842362) has the molecular formula C6H16N2O4S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82842362
Molecular FormulaC6H16N2O4S2
Molecular Weight244.34 g/mol
Exact Mass244.06
IUPAC NameN-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCCNCCNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C6H16N2O4S2/c1-3-7-4-5-8-14(11,12)6-13(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyAPYGQZQYMLBOSH-UHFFFAOYSA-N
XLogP-1.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide (CID 82842362) is N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide is CCNCCNS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is APYGQZQYMLBOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S2/c1-3-7-4-5-8-14(11,12)6-13(2,9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide?
N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 244.34 g/mol, XLogP of -1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).