2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide

C6H11N3O3S2 — CID 106380615

IUPAC2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H11N3O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,1-3,7H2,(H,9,10)
InChIKeyNRAHCAPANWDHFF-UHFFFAOYSA-N
MW237.31 g/mol
LogP-1.19
Rot. Bonds5

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

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (PubChem CID 106380615) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
PubChem CID106380615
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H11N3O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,1-3,7H2,(H,9,10)
InChIKeyNRAHCAPANWDHFF-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (CID 106380615) is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide is NCCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is NRAHCAPANWDHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,1-3,7H2,(H,9,10).
What are the key properties of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]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-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 106380615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).