2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine

C3H12N2O2S — CID 144965894

IUPAC2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine
SMILESCNS(O)(O)CCN
InChIInChI=1S/C3H12N2O2S/c1-5-8(6,7)3-2-4/h5-7H,2-4H2,1H3
InChIKeyPOUGOPQGKOILLT-UHFFFAOYSA-N
MW140.21 g/mol
LogP-0.17
Rot. Bonds3

About 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine

2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine (PubChem CID 144965894) has the molecular formula C3H12N2O2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine
PubChem CID144965894
Molecular FormulaC3H12N2O2S
Molecular Weight140.21 g/mol
Exact Mass140.06
IUPAC Name2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine
SMILESCNS(O)(O)CCN
InChIInChI=1S/C3H12N2O2S/c1-5-8(6,7)3-2-4/h5-7H,2-4H2,1H3
InChIKeyPOUGOPQGKOILLT-UHFFFAOYSA-N
XLogP-0.17
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine?
The IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine (CID 144965894) is 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine?
The canonical SMILES for 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine is CNS(O)(O)CCN.
What is the InChIKey of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine?
The InChIKey is POUGOPQGKOILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N2O2S/c1-5-8(6,7)3-2-4/h5-7H,2-4H2,1H3.
What are the key properties of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine?
2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine has a molecular weight of 140.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine is sourced from PubChem (CID 144965894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).