ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine

C4H15NO3S — CID 142218623

IUPACethane;2-(trihydroxy-λ4-sulfanyl)ethanamine
SMILESCC.NCCS(O)(O)O
InChIInChI=1S/C2H9NO3S.C2H6/c3-1-2-7(4,5)6;1-2/h4-6H,1-3H2;1-2H3
InChIKeyZCCSZZVRLSGRFO-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.19
Rot. Bonds2

About ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine

ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine (PubChem CID 142218623) has the molecular formula C4H15NO3S and a molecular weight of 157.24 g/mol. Its IUPAC name is ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine.

Molecular Properties

Compound Nameethane;2-(trihydroxy-λ4-sulfanyl)ethanamine
PubChem CID142218623
Molecular FormulaC4H15NO3S
Molecular Weight157.24 g/mol
Exact Mass157.08
IUPAC Nameethane;2-(trihydroxy-λ4-sulfanyl)ethanamine
SMILESCC.NCCS(O)(O)O
InChIInChI=1S/C2H9NO3S.C2H6/c3-1-2-7(4,5)6;1-2/h4-6H,1-3H2;1-2H3
InChIKeyZCCSZZVRLSGRFO-UHFFFAOYSA-N
XLogP1.19
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine?
The IUPAC name of ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine (CID 142218623) is ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine.
What is the SMILES notation for ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine?
The canonical SMILES for ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine is CC.NCCS(O)(O)O.
What is the InChIKey of ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine?
The InChIKey is ZCCSZZVRLSGRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9NO3S.C2H6/c3-1-2-7(4,5)6;1-2/h4-6H,1-3H2;1-2H3.
What are the key properties of ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine?
ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine has a molecular weight of 157.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(trihydroxy-λ4-sulfanyl)ethanamine is sourced from PubChem (CID 142218623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).