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

C8H14N2O2S2 — CID 71996871

IUPACN-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCCN(Cc1csc(C)n1)S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S2/c1-4-10(14(3,11)12)5-8-6-13-7(2)9-8/h6H,4-5H2,1-3H3
InChIKeyBIAAOUXHRWXFFX-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.23
Rot. Bonds4

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

N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 71996871) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID71996871
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCCN(Cc1csc(C)n1)S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S2/c1-4-10(14(3,11)12)5-8-6-13-7(2)9-8/h6H,4-5H2,1-3H3
InChIKeyBIAAOUXHRWXFFX-UHFFFAOYSA-N
XLogP1.23
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 71996871) is N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is CCN(Cc1csc(C)n1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is BIAAOUXHRWXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-4-10(14(3,11)12)5-8-6-13-7(2)9-8/h6H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71996871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).