5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine

C5H16N2O2S — CID 140778896

IUPAC5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine
SMILESNCCCCCS(N)(O)O
InChIInChI=1S/C5H16N2O2S/c6-4-2-1-3-5-10(7,8)9/h8-9H,1-7H2
InChIKeyAPZQGBFJIWAGBV-UHFFFAOYSA-N
MW168.26 g/mol
LogP0.74
Rot. Bonds5

About 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine

5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine (PubChem CID 140778896) has the molecular formula C5H16N2O2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine.

Molecular Properties

Compound Name5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine
PubChem CID140778896
Molecular FormulaC5H16N2O2S
Molecular Weight168.26 g/mol
Exact Mass168.09
IUPAC Name5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine
SMILESNCCCCCS(N)(O)O
InChIInChI=1S/C5H16N2O2S/c6-4-2-1-3-5-10(7,8)9/h8-9H,1-7H2
InChIKeyAPZQGBFJIWAGBV-UHFFFAOYSA-N
XLogP0.74
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine?
The IUPAC name of 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine (CID 140778896) is 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine.
What is the SMILES notation for 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine?
The canonical SMILES for 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine is NCCCCCS(N)(O)O.
What is the InChIKey of 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine?
The InChIKey is APZQGBFJIWAGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N2O2S/c6-4-2-1-3-5-10(7,8)9/h8-9H,1-7H2.
What are the key properties of 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine?
5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine has a molecular weight of 168.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(dihydroxy)-λ4-sulfanyl]pentan-1-amine is sourced from PubChem (CID 140778896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).