1-hydroxy-4-(sulfinatoamino)butane

C4H10NO3S- — CID 57002604

IUPAC1-hydroxy-4-(sulfinatoamino)butane
SMILESO=S([O-])NCCCCO
InChIInChI=1S/C4H11NO3S/c6-4-2-1-3-5-9(7)8/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeyYWJLWJYQFAWHQM-UHFFFAOYSA-M
MW152.19 g/mol
LogP-0.86
Rot. Bonds5

About 1-hydroxy-4-(sulfinatoamino)butane

1-hydroxy-4-(sulfinatoamino)butane (PubChem CID 57002604) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-hydroxy-4-(sulfinatoamino)butane.

Molecular Properties

Compound Name1-hydroxy-4-(sulfinatoamino)butane
PubChem CID57002604
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC Name1-hydroxy-4-(sulfinatoamino)butane
SMILESO=S([O-])NCCCCO
InChIInChI=1S/C4H11NO3S/c6-4-2-1-3-5-9(7)8/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeyYWJLWJYQFAWHQM-UHFFFAOYSA-M
XLogP-0.86
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.86
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(sulfinatoamino)butane?
The IUPAC name of 1-hydroxy-4-(sulfinatoamino)butane (CID 57002604) is 1-hydroxy-4-(sulfinatoamino)butane.
What is the SMILES notation for 1-hydroxy-4-(sulfinatoamino)butane?
The canonical SMILES for 1-hydroxy-4-(sulfinatoamino)butane is O=S([O-])NCCCCO.
What is the InChIKey of 1-hydroxy-4-(sulfinatoamino)butane?
The InChIKey is YWJLWJYQFAWHQM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S/c6-4-2-1-3-5-9(7)8/h5-6H,1-4H2,(H,7,8)/p-1.
What are the key properties of 1-hydroxy-4-(sulfinatoamino)butane?
1-hydroxy-4-(sulfinatoamino)butane has a molecular weight of 152.19 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(sulfinatoamino)butane is sourced from PubChem (CID 57002604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).