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

C8H14N2O2S2 — CID 115681436

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C8H14N2O2S2/c1-4-14(11,12)10-7(3)8-9-5-6(2)13-8/h5,7,10H,4H2,1-3H3
InChIKeyXCRXVDPPCSKPTG-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.45
Rot. Bonds4

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide (PubChem CID 115681436) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
PubChem CID115681436
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C8H14N2O2S2/c1-4-14(11,12)10-7(3)8-9-5-6(2)13-8/h5,7,10H,4H2,1-3H3
InChIKeyXCRXVDPPCSKPTG-UHFFFAOYSA-N
XLogP1.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate
CID 112697354
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 112697358
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103171734
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 105359223
ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
CID 103263521
3-chloro-4-(hydroxymethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107090869
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide (CID 115681436) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)c1ncc(C)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide?
The InChIKey is XCRXVDPPCSKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-4-14(11,12)10-7(3)8-9-5-6(2)13-8/h5,7,10H,4H2,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 115681436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).