2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine

C3H12N2OS — CID 153331956

IUPAC2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine
SMILESCS(N)(O)CCN
InChIInChI=1S/C3H12N2OS/c1-7(5,6)3-2-4/h6H,2-5H2,1H3
InChIKeyBJZXLDUYKOSJTK-UHFFFAOYSA-N
MW124.21 g/mol
LogP-0.27
Rot. Bonds2

About 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine

2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine (PubChem CID 153331956) has the molecular formula C3H12N2OS and a molecular weight of 124.21 g/mol. Its IUPAC name is 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine.

Molecular Properties

Compound Name2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine
PubChem CID153331956
Molecular FormulaC3H12N2OS
Molecular Weight124.21 g/mol
Exact Mass124.07
IUPAC Name2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine
SMILESCS(N)(O)CCN
InChIInChI=1S/C3H12N2OS/c1-7(5,6)3-2-4/h6H,2-5H2,1H3
InChIKeyBJZXLDUYKOSJTK-UHFFFAOYSA-N
XLogP-0.27
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine?
The IUPAC name of 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine (CID 153331956) is 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine.
What is the SMILES notation for 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine?
The canonical SMILES for 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine is CS(N)(O)CCN.
What is the InChIKey of 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine?
The InChIKey is BJZXLDUYKOSJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N2OS/c1-7(5,6)3-2-4/h6H,2-5H2,1H3.
What are the key properties of 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine?
2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine has a molecular weight of 124.21 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(amino-hydroxy-methyl-λ4-sulfanyl)ethanamine is sourced from PubChem (CID 153331956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).