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

C9H17N3O2S2 — CID 115595237

IUPACN-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNCc1csc(C)n1
InChIInChI=1S/C9H17N3O2S2/c1-3-16(13,14)11-5-4-10-6-9-7-15-8(2)12-9/h7,10-11H,3-6H2,1-2H3
InChIKeyAIAKDOVUYGHJJN-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.48
Rot. Bonds7

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

N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide (PubChem CID 115595237) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
PubChem CID115595237
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC NameN-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNCc1csc(C)n1
InChIInChI=1S/C9H17N3O2S2/c1-3-16(13,14)11-5-4-10-6-9-7-15-8(2)12-9/h7,10-11H,3-6H2,1-2H3
InChIKeyAIAKDOVUYGHJJN-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-ethylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 65093047
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]ethanesulfonamide
CID 115595227
N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 54935908
3-[2-(ethylsulfonylamino)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422304
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
CID 82940582
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide (CID 115595237) is N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNCc1csc(C)n1.
What is the InChIKey of N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide?
The InChIKey is AIAKDOVUYGHJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-3-16(13,14)11-5-4-10-6-9-7-15-8(2)12-9/h7,10-11H,3-6H2,1-2H3.
What are the key properties of N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide?
N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]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 N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide is sourced from PubChem (CID 115595237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).