2-(aminomethylsulfonyl)ethanamine

C3H10N2O2S — CID 88978653

IUPAC2-(aminomethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CN
InChIInChI=1S/C3H10N2O2S/c4-1-2-8(6,7)3-5/h1-5H2
InChIKeyXKPIAMWCELFIEE-UHFFFAOYSA-N
MW138.19 g/mol
LogP-1.72
Rot. Bonds3

About 2-(aminomethylsulfonyl)ethanamine

2-(aminomethylsulfonyl)ethanamine (PubChem CID 88978653) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-(aminomethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(aminomethylsulfonyl)ethanamine
PubChem CID88978653
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC Name2-(aminomethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CN
InChIInChI=1S/C3H10N2O2S/c4-1-2-8(6,7)3-5/h1-5H2
InChIKeyXKPIAMWCELFIEE-UHFFFAOYSA-N
XLogP-1.72
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylsulfonyl)ethanamine?
The IUPAC name of 2-(aminomethylsulfonyl)ethanamine (CID 88978653) is 2-(aminomethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(aminomethylsulfonyl)ethanamine?
The canonical SMILES for 2-(aminomethylsulfonyl)ethanamine is NCCS(=O)(=O)CN.
What is the InChIKey of 2-(aminomethylsulfonyl)ethanamine?
The InChIKey is XKPIAMWCELFIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c4-1-2-8(6,7)3-5/h1-5H2.
What are the key properties of 2-(aminomethylsulfonyl)ethanamine?
2-(aminomethylsulfonyl)ethanamine has a molecular weight of 138.19 g/mol, XLogP of -1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylsulfonyl)ethanamine is sourced from PubChem (CID 88978653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).