4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide

C8H14N2O4S2 — CID 106383788

IUPAC4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCCCO)cs1
InChIInChI=1S/C8H14N2O4S2/c11-3-1-2-4-16(13,14)9-5-7-6-15-8(12)10-7/h6,9,11H,1-5H2,(H,10,12)
InChIKeyLNQKMJPQMOWBJI-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.37
Rot. Bonds7

About 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide

4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide (PubChem CID 106383788) has the molecular formula C8H14N2O4S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
PubChem CID106383788
Molecular FormulaC8H14N2O4S2
Molecular Weight266.34 g/mol
Exact Mass266.04
IUPAC Name4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCCCO)cs1
InChIInChI=1S/C8H14N2O4S2/c11-3-1-2-4-16(13,14)9-5-7-6-15-8(12)10-7/h6,9,11H,1-5H2,(H,10,12)
InChIKeyLNQKMJPQMOWBJI-UHFFFAOYSA-N
XLogP-0.37
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide (CID 106383788) is 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide is O=c1[nH]c(CNS(=O)(=O)CCCCO)cs1.
What is the InChIKey of 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
The InChIKey is LNQKMJPQMOWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S2/c11-3-1-2-4-16(13,14)9-5-7-6-15-8(12)10-7/h6,9,11H,1-5H2,(H,10,12).
What are the key properties of 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide?
4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide has a molecular weight of 266.34 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106383788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).