2-(2-aminoethylsulfonyl)ethanamine

C4H12N2O2S — CID 19026147

IUPAC2-(2-aminoethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O2S/c5-1-3-9(7,8)4-2-6/h1-6H2
InChIKeyRORNWUHWEYNMLS-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.68
Rot. Bonds4

About 2-(2-aminoethylsulfonyl)ethanamine

2-(2-aminoethylsulfonyl)ethanamine (PubChem CID 19026147) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)ethanamine
PubChem CID19026147
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC Name2-(2-aminoethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O2S/c5-1-3-9(7,8)4-2-6/h1-6H2
InChIKeyRORNWUHWEYNMLS-UHFFFAOYSA-N
XLogP-1.68
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)ethanamine?
The IUPAC name of 2-(2-aminoethylsulfonyl)ethanamine (CID 19026147) is 2-(2-aminoethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-aminoethylsulfonyl)ethanamine is NCCS(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)ethanamine?
The InChIKey is RORNWUHWEYNMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c5-1-3-9(7,8)4-2-6/h1-6H2.
What are the key properties of 2-(2-aminoethylsulfonyl)ethanamine?
2-(2-aminoethylsulfonyl)ethanamine has a molecular weight of 152.22 g/mol, XLogP of -1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)ethanamine is sourced from PubChem (CID 19026147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).