4-(sulfinoamino)butanoic acid

C4H9NO4S — CID 57148277

IUPAC4-(sulfinoamino)butanoic acid
SMILESO=C(O)CCCNS(=O)O
InChIInChI=1S/C4H9NO4S/c6-4(7)2-1-3-5-10(8)9/h5H,1-3H2,(H,6,7)(H,8,9)
InChIKeyFHVUKCVUHHBVMW-UHFFFAOYSA-N
MW167.19 g/mol
LogP-0.42
Rot. Bonds5

About 4-(sulfinoamino)butanoic acid

4-(sulfinoamino)butanoic acid (PubChem CID 57148277) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is 4-(sulfinoamino)butanoic acid.

Molecular Properties

Compound Name4-(sulfinoamino)butanoic acid
PubChem CID57148277
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name4-(sulfinoamino)butanoic acid
SMILESO=C(O)CCCNS(=O)O
InChIInChI=1S/C4H9NO4S/c6-4(7)2-1-3-5-10(8)9/h5H,1-3H2,(H,6,7)(H,8,9)
InChIKeyFHVUKCVUHHBVMW-UHFFFAOYSA-N
XLogP-0.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 4-(sulfinoamino)butanoic acid?
The IUPAC name of 4-(sulfinoamino)butanoic acid (CID 57148277) is 4-(sulfinoamino)butanoic acid.
What is the SMILES notation for 4-(sulfinoamino)butanoic acid?
The canonical SMILES for 4-(sulfinoamino)butanoic acid is O=C(O)CCCNS(=O)O.
What is the InChIKey of 4-(sulfinoamino)butanoic acid?
The InChIKey is FHVUKCVUHHBVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c6-4(7)2-1-3-5-10(8)9/h5H,1-3H2,(H,6,7)(H,8,9).
What are the key properties of 4-(sulfinoamino)butanoic acid?
4-(sulfinoamino)butanoic acid has a molecular weight of 167.19 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfinoamino)butanoic acid is sourced from PubChem (CID 57148277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).