2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide

C9H17N3O2S2 — CID 63283761

IUPAC2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1scnc1C
InChIInChI=1S/C9H17N3O2S2/c1-3-10-4-5-16(13,14)12-6-9-8(2)11-7-15-9/h7,10,12H,3-6H2,1-2H3
InChIKeyAILFEYAKXOECPB-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.48
Rot. Bonds7

About 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide

2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide (PubChem CID 63283761) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide
PubChem CID63283761
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1scnc1C
InChIInChI=1S/C9H17N3O2S2/c1-3-10-4-5-16(13,14)12-6-9-8(2)11-7-15-9/h7,10,12H,3-6H2,1-2H3
InChIKeyAILFEYAKXOECPB-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
CID 63280700
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 55170339
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 63283991
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 63280983
2-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293643
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoylmethyl]benzoic acid
CID 63280975
4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283976
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide (CID 63283761) is 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide is CCNCCS(=O)(=O)NCc1scnc1C.
What is the InChIKey of 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide?
The InChIKey is AILFEYAKXOECPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-3-10-4-5-16(13,14)12-6-9-8(2)11-7-15-9/h7,10,12H,3-6H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide?
2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide has a molecular weight of 263.39 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 63283761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).