N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide

C4H12N2O4S2 — CID 87429618

IUPACN-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(CCN)S(C)(=O)=O
InChIInChI=1S/C4H12N2O4S2/c1-11(7,8)6(4-3-5)12(2,9)10/h3-5H2,1-2H3
InChIKeyAFMTYIAPUUYQCK-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.83
Rot. Bonds4

About N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide

N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide (PubChem CID 87429618) has the molecular formula C4H12N2O4S2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide
PubChem CID87429618
Molecular FormulaC4H12N2O4S2
Molecular Weight216.28 g/mol
Exact Mass216.02
IUPAC NameN-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(CCN)S(C)(=O)=O
InChIInChI=1S/C4H12N2O4S2/c1-11(7,8)6(4-3-5)12(2,9)10/h3-5H2,1-2H3
InChIKeyAFMTYIAPUUYQCK-UHFFFAOYSA-N
XLogP-1.83
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide (CID 87429618) is N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(CCN)S(C)(=O)=O.
What is the InChIKey of N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide?
The InChIKey is AFMTYIAPUUYQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4S2/c1-11(7,8)6(4-3-5)12(2,9)10/h3-5H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide?
N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide has a molecular weight of 216.28 g/mol, XLogP of -1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 87429618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).