N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine

C8H14N2O2S2 — CID 83896232

IUPACN-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine
SMILESCNCCc1sc(S(C)(=O)=O)nc1C
InChIInChI=1S/C8H14N2O2S2/c1-6-7(4-5-9-2)13-8(10-6)14(3,11)12/h9H,4-5H2,1-3H3
InChIKeyNOAQDFKSNZMWMD-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.62
Rot. Bonds4

About N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine

N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 83896232) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine
PubChem CID83896232
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine
SMILESCNCCc1sc(S(C)(=O)=O)nc1C
InChIInChI=1S/C8H14N2O2S2/c1-6-7(4-5-9-2)13-8(10-6)14(3,11)12/h9H,4-5H2,1-3H3
InChIKeyNOAQDFKSNZMWMD-UHFFFAOYSA-N
XLogP0.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine
CID 83896231
2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884551
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
CID 110395145
N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62472745
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786398
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884752
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
CID 7503071
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 7202350
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 18563013

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine (CID 83896232) is N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine is CNCCc1sc(S(C)(=O)=O)nc1C.
What is the InChIKey of N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is NOAQDFKSNZMWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-6-7(4-5-9-2)13-8(10-6)14(3,11)12/h9H,4-5H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine?
N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 234.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 83896232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).