2-(trihydroxy-λ4-sulfanyl)ethanamine

C2H9NO3S — CID 23530470

IUPAC2-(trihydroxy-λ4-sulfanyl)ethanamine
SMILESNCCS(O)(O)O
InChIInChI=1S/C2H9NO3S/c3-1-2-7(4,5)6/h4-6H,1-3H2
InChIKeyRDWYLNUEVCSBNQ-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.17
Rot. Bonds2

About 2-(trihydroxy-λ4-sulfanyl)ethanamine

2-(trihydroxy-λ4-sulfanyl)ethanamine (PubChem CID 23530470) has the molecular formula C2H9NO3S and a molecular weight of 127.17 g/mol. Its IUPAC name is 2-(trihydroxy-λ4-sulfanyl)ethanamine.

Molecular Properties

Compound Name2-(trihydroxy-λ4-sulfanyl)ethanamine
PubChem CID23530470
Molecular FormulaC2H9NO3S
Molecular Weight127.17 g/mol
Exact Mass127.03
IUPAC Name2-(trihydroxy-λ4-sulfanyl)ethanamine
SMILESNCCS(O)(O)O
InChIInChI=1S/C2H9NO3S/c3-1-2-7(4,5)6/h4-6H,1-3H2
InChIKeyRDWYLNUEVCSBNQ-UHFFFAOYSA-N
XLogP0.17
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Hypotaurine
CID 107812
Homohypotaurine
CID 193060
(2R)-2-amino-2-hydroxysulfanylethanethiol
CID 22801373
2-Sulfoethylazanium
CID 23192578
3h-Taurine
CID 129664824
2-Fluoro-3-hydroxysulfanylpropan-1-amine
CID 143236222
(35s)Hypotaurine
CID 129716794
Hypotaurine hydrochloride
CID 129717025
2-aminoethanethiol;sulfurothioic O-acid
CID 18968271
(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol
CID 22801375
2-Hydroxysulfanylethanamine
CID 55289599
3-Oxidoperoxysulfanylpropan-1-amine
CID 58031120

Frequently Asked Questions

What is the IUPAC name of 2-(trihydroxy-λ4-sulfanyl)ethanamine?
The IUPAC name of 2-(trihydroxy-λ4-sulfanyl)ethanamine (CID 23530470) is 2-(trihydroxy-λ4-sulfanyl)ethanamine.
What is the SMILES notation for 2-(trihydroxy-λ4-sulfanyl)ethanamine?
The canonical SMILES for 2-(trihydroxy-λ4-sulfanyl)ethanamine is NCCS(O)(O)O.
What is the InChIKey of 2-(trihydroxy-λ4-sulfanyl)ethanamine?
The InChIKey is RDWYLNUEVCSBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9NO3S/c3-1-2-7(4,5)6/h4-6H,1-3H2.
What are the key properties of 2-(trihydroxy-λ4-sulfanyl)ethanamine?
2-(trihydroxy-λ4-sulfanyl)ethanamine has a molecular weight of 127.17 g/mol, XLogP of 0.17, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trihydroxy-λ4-sulfanyl)ethanamine is sourced from PubChem (CID 23530470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).