(2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide

C9H14N2O2S2 — CID 130367201

IUPAC(2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide
SMILESC=CCC(c1nccs1)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S2/c1-3-4-8(7(2)15(10,12)13)9-11-5-6-14-9/h3,5-8H,1,4H2,2H3,(H2,10,12,13)/t7-,8?/m1/s1
InChIKeyZBFBMZFMSNUEPC-GVHYBUMESA-N
MW246.36 g/mol
LogP1.48
Rot. Bonds5

About (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide

(2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide (PubChem CID 130367201) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide
PubChem CID130367201
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name(2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide
SMILESC=CCC(c1nccs1)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S2/c1-3-4-8(7(2)15(10,12)13)9-11-5-6-14-9/h3,5-8H,1,4H2,2H3,(H2,10,12,13)/t7-,8?/m1/s1
InChIKeyZBFBMZFMSNUEPC-GVHYBUMESA-N
XLogP1.48
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(sulfamoylamino)ethyl]-1,3-thiazole
CID 112689953
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
CID 87610344
2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]prop-2-enoic acid
CID 103253582
2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79557977
3-(1,3-thiazol-2-yl)butane-2-thiol
CID 146833908
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993195
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide?
The IUPAC name of (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide (CID 130367201) is (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide.
What is the SMILES notation for (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide?
The canonical SMILES for (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide is C=CCC(c1nccs1)[C@@H](C)S(N)(=O)=O.
What is the InChIKey of (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide?
The InChIKey is ZBFBMZFMSNUEPC-GVHYBUMESA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-3-4-8(7(2)15(10,12)13)9-11-5-6-14-9/h3,5-8H,1,4H2,2H3,(H2,10,12,13)/t7-,8?/m1/s1.
What are the key properties of (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide?
(2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide has a molecular weight of 246.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1,3-thiazol-2-yl)hex-5-ene-2-sulfonamide is sourced from PubChem (CID 130367201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).