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

C8H14N2O2S2 — CID 3241103

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(C)n1
InChIInChI=1S/C8H14N2O2S2/c1-3-14(11,12)9-5-4-8-6-13-7(2)10-8/h6,9H,3-5H2,1-2H3
InChIKeyPQEPPAHRXJHAAH-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.93
Rot. Bonds5

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 3241103) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
PubChem CID3241103
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(C)n1
InChIInChI=1S/C8H14N2O2S2/c1-3-14(11,12)9-5-4-8-6-13-7(2)10-8/h6,9H,3-5H2,1-2H3
InChIKeyPQEPPAHRXJHAAH-UHFFFAOYSA-N
XLogP0.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (CID 3241103) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1csc(C)n1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is PQEPPAHRXJHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-3-14(11,12)9-5-4-8-6-13-7(2)10-8/h6,9H,3-5H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 234.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 3241103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).