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

C9H17N3O2S2 — CID 106049175

IUPAC2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCc1csc(C)n1
InChIInChI=1S/C9H17N3O2S2/c1-8-12-9(7-15-8)3-4-11-16(13,14)6-5-10-2/h7,10-11H,3-6H2,1-2H3
InChIKeyRLQNFLKDFXMYPX-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.13
Rot. Bonds7

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

2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 106049175) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
PubChem CID106049175
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCc1csc(C)n1
InChIInChI=1S/C9H17N3O2S2/c1-8-12-9(7-15-8)3-4-11-16(13,14)6-5-10-2/h7,10-11H,3-6H2,1-2H3
InChIKeyRLQNFLKDFXMYPX-UHFFFAOYSA-N
XLogP0.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 106034147
4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095002
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106049676
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoylmethyl]benzoic acid
CID 166178742
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034093
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106038822
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932118
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (CID 106049175) is 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is CNCCS(=O)(=O)NCCc1csc(C)n1.
What is the InChIKey of 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is RLQNFLKDFXMYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-8-12-9(7-15-8)3-4-11-16(13,14)6-5-10-2/h7,10-11H,3-6H2,1-2H3.
What are the key properties of 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 263.39 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106049175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).