1-hydroxy-5-(sulfinatoamino)pentane

C5H12NO3S- — CID 91602257

IUPAC1-hydroxy-5-(sulfinatoamino)pentane
SMILESO=S([O-])NCCCCCO
InChIInChI=1S/C5H13NO3S/c7-5-3-1-2-4-6-10(8)9/h6-7H,1-5H2,(H,8,9)/p-1
InChIKeyQGVPDTZUNUGTFD-UHFFFAOYSA-M
MW166.22 g/mol
LogP-0.47
Rot. Bonds6

About 1-hydroxy-5-(sulfinatoamino)pentane

1-hydroxy-5-(sulfinatoamino)pentane (PubChem CID 91602257) has the molecular formula C5H12NO3S- and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-hydroxy-5-(sulfinatoamino)pentane.

Molecular Properties

Compound Name1-hydroxy-5-(sulfinatoamino)pentane
PubChem CID91602257
Molecular FormulaC5H12NO3S-
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name1-hydroxy-5-(sulfinatoamino)pentane
SMILESO=S([O-])NCCCCCO
InChIInChI=1S/C5H13NO3S/c7-5-3-1-2-4-6-10(8)9/h6-7H,1-5H2,(H,8,9)/p-1
InChIKeyQGVPDTZUNUGTFD-UHFFFAOYSA-M
XLogP-0.47
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4-(sulfinatoamino)butane
CID 57002604
6-methyl-1-(sulfinatoamino)heptane
CID 22376959
1-ethoxy-4-(sulfinatoamino)butane
CID 91365784
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
1-fluoro-5-(sulfinoamino)pentane
CID 91169380
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-(sulfinatoamino)pentane?
The IUPAC name of 1-hydroxy-5-(sulfinatoamino)pentane (CID 91602257) is 1-hydroxy-5-(sulfinatoamino)pentane.
What is the SMILES notation for 1-hydroxy-5-(sulfinatoamino)pentane?
The canonical SMILES for 1-hydroxy-5-(sulfinatoamino)pentane is O=S([O-])NCCCCCO.
What is the InChIKey of 1-hydroxy-5-(sulfinatoamino)pentane?
The InChIKey is QGVPDTZUNUGTFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO3S/c7-5-3-1-2-4-6-10(8)9/h6-7H,1-5H2,(H,8,9)/p-1.
What are the key properties of 1-hydroxy-5-(sulfinatoamino)pentane?
1-hydroxy-5-(sulfinatoamino)pentane has a molecular weight of 166.22 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-(sulfinatoamino)pentane is sourced from PubChem (CID 91602257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).