4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole

C8H15N3O4S2 — CID 106383834

IUPAC4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole
SMILESCN(CCCO)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3O4S2/c1-11(3-2-4-12)17(14,15)9-5-7-6-16-8(13)10-7/h6,9,12H,2-5H2,1H3,(H,10,13)
InChIKeyYWBIGDNYSUZIFX-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.92
Rot. Bonds7

About 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole

4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole (PubChem CID 106383834) has the molecular formula C8H15N3O4S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole.

Molecular Properties

Compound Name4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole
PubChem CID106383834
Molecular FormulaC8H15N3O4S2
Molecular Weight281.36 g/mol
Exact Mass281.05
IUPAC Name4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole
SMILESCN(CCCO)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3O4S2/c1-11(3-2-4-12)17(14,15)9-5-7-6-16-8(13)10-7/h6,9,12H,2-5H2,1H3,(H,10,13)
InChIKeyYWBIGDNYSUZIFX-UHFFFAOYSA-N
XLogP-0.92
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
CID 106379595
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680
4-[(3-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380741
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380863
4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381046
2-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106382695
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
CID 106383784
4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
CID 106383788
1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
CID 106383797

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole?
The IUPAC name of 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole (CID 106383834) is 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole.
What is the SMILES notation for 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole?
The canonical SMILES for 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole is CN(CCCO)S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole?
The InChIKey is YWBIGDNYSUZIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S2/c1-11(3-2-4-12)17(14,15)9-5-7-6-16-8(13)10-7/h6,9,12H,2-5H2,1H3,(H,10,13).
What are the key properties of 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole?
4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole has a molecular weight of 281.36 g/mol, XLogP of -0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole is sourced from PubChem (CID 106383834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).