N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide

C13H22N2O2S2 — CID 167894284

IUPACN-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide
SMILESC=CCCCCS(=O)(=O)NC(C)c1nc(CC)cs1
InChIInChI=1S/C13H22N2O2S2/c1-4-6-7-8-9-19(16,17)15-11(3)13-14-12(5-2)10-18-13/h4,10-11,15H,1,5-9H2,2-3H3
InChIKeyBPHJCJDQRJYALP-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.04
Rot. Bonds9

About N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide

N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide (PubChem CID 167894284) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide
PubChem CID167894284
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC NameN-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide
SMILESC=CCCCCS(=O)(=O)NC(C)c1nc(CC)cs1
InChIInChI=1S/C13H22N2O2S2/c1-4-6-7-8-9-19(16,17)15-11(3)13-14-12(5-2)10-18-13/h4,10-11,15H,1,5-9H2,2-3H3
InChIKeyBPHJCJDQRJYALP-UHFFFAOYSA-N
XLogP3.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
(2R)-N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methoxypropane-1-sulfonamide
CID 99843487
2-[1-(pent-4-enylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114264989
2-[1-(methylsulfonylmethylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82840243
4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
CID 126827825
N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
CID 115691974
4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106051072
N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97089486
2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116633699
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
CID 102676201
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide?
The IUPAC name of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide (CID 167894284) is N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide.
What is the SMILES notation for N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide?
The canonical SMILES for N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide is C=CCCCCS(=O)(=O)NC(C)c1nc(CC)cs1.
What is the InChIKey of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide?
The InChIKey is BPHJCJDQRJYALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-4-6-7-8-9-19(16,17)15-11(3)13-14-12(5-2)10-18-13/h4,10-11,15H,1,5-9H2,2-3H3.
What are the key properties of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide?
N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide has a molecular weight of 302.46 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]hex-5-ene-1-sulfonamide is sourced from PubChem (CID 167894284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).