2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide

C6H11N3O3S2 — CID 106380607

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C6H11N3O3S2/c7-14(11,12)2-1-8-3-5-4-13-6(10)9-5/h4,8H,1-3H2,(H,9,10)(H2,7,11,12)
InChIKeyXGNBDQJPHUUHGX-UHFFFAOYSA-N
MW237.31 g/mol
LogP-1.19
Rot. Bonds5

About 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide (PubChem CID 106380607) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
PubChem CID106380607
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C6H11N3O3S2/c7-14(11,12)2-1-8-3-5-4-13-6(10)9-5/h4,8H,1-3H2,(H,9,10)(H2,7,11,12)
InChIKeyXGNBDQJPHUUHGX-UHFFFAOYSA-N
XLogP-1.19
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-1.19
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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Related Compounds

4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381142
4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381718
4-[[(3-amino-4-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381822
4-[[3-(4-aminophenyl)butylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381770
4-[[4-(2-aminoethyl)heptylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181544
2,2-dimethyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanenitrile
CID 106381121
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922
4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181240
4-[[(3-aminophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381742
4-[(1,3-thiazol-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380405
4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride
CID 71756373
methyl 5-[(2-sulfamoylethylamino)methyl]-1H-pyrrole-2-carboxylate
CID 79415869

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide (CID 106380607) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide is NS(=O)(=O)CCNCc1csc(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide?
The InChIKey is XGNBDQJPHUUHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c7-14(11,12)2-1-8-3-5-4-13-6(10)9-5/h4,8H,1-3H2,(H,9,10)(H2,7,11,12).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide has a molecular weight of 237.31 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 106380607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).