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

C7H12N2O2S2 — CID 3237999

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1csc(C)n1
InChIInChI=1S/C7H12N2O2S2/c1-3-13(10,11)8-4-7-5-12-6(2)9-7/h5,8H,3-4H2,1-2H3
InChIKeyXLNYYYWFPYMLAO-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.89
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide (PubChem CID 3237999) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
PubChem CID3237999
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1csc(C)n1
InChIInChI=1S/C7H12N2O2S2/c1-3-13(10,11)8-4-7-5-12-6(2)9-7/h5,8H,3-4H2,1-2H3
InChIKeyXLNYYYWFPYMLAO-UHFFFAOYSA-N
XLogP0.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide (CID 3237999) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1csc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is XLNYYYWFPYMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-3-13(10,11)8-4-7-5-12-6(2)9-7/h5,8H,3-4H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 220.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 3237999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).