3-(3-phenylprop-2-ynylsulfonyl)thiophene

C13H10O2S2 — CID 122402742

IUPAC3-(3-phenylprop-2-ynylsulfonyl)thiophene
SMILESO=S(=O)(CC#Cc1ccccc1)c1ccsc1
InChIInChI=1S/C13H10O2S2/c14-17(15,13-8-9-16-11-13)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,10H2
InChIKeyGUQDYXDKFCLZAX-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.57
Rot. Bonds2

About 3-(3-phenylprop-2-ynylsulfonyl)thiophene

3-(3-phenylprop-2-ynylsulfonyl)thiophene (PubChem CID 122402742) has the molecular formula C13H10O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(3-phenylprop-2-ynylsulfonyl)thiophene.

Molecular Properties

Compound Name3-(3-phenylprop-2-ynylsulfonyl)thiophene
PubChem CID122402742
Molecular FormulaC13H10O2S2
Molecular Weight262.36 g/mol
Exact Mass262.01
IUPAC Name3-(3-phenylprop-2-ynylsulfonyl)thiophene
SMILESO=S(=O)(CC#Cc1ccccc1)c1ccsc1
InChIInChI=1S/C13H10O2S2/c14-17(15,13-8-9-16-11-13)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,10H2
InChIKeyGUQDYXDKFCLZAX-UHFFFAOYSA-N
XLogP2.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-phenylprop-2-ynylsulfonyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(benzenesulfonyl)prop-1-ynyl]-4-bromobenzene
CID 139886667
1-fluoro-4-(3-phenylprop-2-ynylsulfonyl)naphthalene
CID 134065711
3-(benzenesulfonylmethyl)thiophene
CID 14632150
3-but-2-ynylsulfonylprop-1-ynylbenzene
CID 86057005
3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
3-thiophen-3-ylsulfonylsulfonylthiophene
CID 101047717
oct-2-ynylsulfonylbenzene
CID 10729374
3,3-dimethyl-1-thiophen-3-ylsulfonylbutan-2-one
CID 102325654
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
1-chloro-4-(3-phenylprop-2-ynyl)benzene
CID 71393321
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701
3-(5-phenylpent-1-ynyl)thiophene
CID 152636776

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-ynylsulfonyl)thiophene?
The IUPAC name of 3-(3-phenylprop-2-ynylsulfonyl)thiophene (CID 122402742) is 3-(3-phenylprop-2-ynylsulfonyl)thiophene.
What is the SMILES notation for 3-(3-phenylprop-2-ynylsulfonyl)thiophene?
The canonical SMILES for 3-(3-phenylprop-2-ynylsulfonyl)thiophene is O=S(=O)(CC#Cc1ccccc1)c1ccsc1.
What is the InChIKey of 3-(3-phenylprop-2-ynylsulfonyl)thiophene?
The InChIKey is GUQDYXDKFCLZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S2/c14-17(15,13-8-9-16-11-13)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,10H2.
What are the key properties of 3-(3-phenylprop-2-ynylsulfonyl)thiophene?
3-(3-phenylprop-2-ynylsulfonyl)thiophene has a molecular weight of 262.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-ynylsulfonyl)thiophene is sourced from PubChem (CID 122402742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).