3-(trihydroxy-λ4-sulfanyl)propan-1-amine

C3H11NO3S — CID 143992139

IUPAC3-(trihydroxy-λ4-sulfanyl)propan-1-amine
SMILESNCCCS(O)(O)O
InChIInChI=1S/C3H11NO3S/c4-2-1-3-8(5,6)7/h5-7H,1-4H2
InChIKeyAVFDHZAAKYHAMO-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.56
Rot. Bonds3

About 3-(trihydroxy-λ4-sulfanyl)propan-1-amine

3-(trihydroxy-λ4-sulfanyl)propan-1-amine (PubChem CID 143992139) has the molecular formula C3H11NO3S and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-(trihydroxy-λ4-sulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(trihydroxy-λ4-sulfanyl)propan-1-amine
PubChem CID143992139
Molecular FormulaC3H11NO3S
Molecular Weight141.19 g/mol
Exact Mass141.05
IUPAC Name3-(trihydroxy-λ4-sulfanyl)propan-1-amine
SMILESNCCCS(O)(O)O
InChIInChI=1S/C3H11NO3S/c4-2-1-3-8(5,6)7/h5-7H,1-4H2
InChIKeyAVFDHZAAKYHAMO-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
The IUPAC name of 3-(trihydroxy-λ4-sulfanyl)propan-1-amine (CID 143992139) is 3-(trihydroxy-λ4-sulfanyl)propan-1-amine.
What is the SMILES notation for 3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
The canonical SMILES for 3-(trihydroxy-λ4-sulfanyl)propan-1-amine is NCCCS(O)(O)O.
What is the InChIKey of 3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
The InChIKey is AVFDHZAAKYHAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO3S/c4-2-1-3-8(5,6)7/h5-7H,1-4H2.
What are the key properties of 3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
3-(trihydroxy-λ4-sulfanyl)propan-1-amine has a molecular weight of 141.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trihydroxy-λ4-sulfanyl)propan-1-amine is sourced from PubChem (CID 143992139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).