N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide

C12H17NO2S2 — CID 75508491

IUPACN-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCC#CCN(CCc1cccs1)S(=O)(=O)CC
InChIInChI=1S/C12H17NO2S2/c1-3-5-9-13(17(14,15)4-2)10-8-12-7-6-11-16-12/h6-7,11H,4,8-10H2,1-2H3
InChIKeyFQWCABQXLWHDLT-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.97
Rot. Bonds6

About N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide

N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide (PubChem CID 75508491) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
PubChem CID75508491
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCC#CCN(CCc1cccs1)S(=O)(=O)CC
InChIInChI=1S/C12H17NO2S2/c1-3-5-9-13(17(14,15)4-2)10-8-12-7-6-11-16-12/h6-7,11H,4,8-10H2,1-2H3
InChIKeyFQWCABQXLWHDLT-UHFFFAOYSA-N
XLogP1.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide 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-[(2,5-Dimethylthiophen-3-yl)sulfonyl]pyrrolidine
CID 715527
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]piperidine
CID 718928
1-[(5-Methyl-2-thienyl)sulfonyl]pyrrolidine
CID 2240996
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
N-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
CID 45822219
N,N-bis(thiophen-2-ylmethyl)methanesulfonamide
CID 53519530
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonyl chloride
CID 24689074
N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide
CID 60745829
1-(Ethylsulfonyl)-4-(2-thienylmethyl)piperazine
CID 770545
N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
CID 60700287
1-(Methylsulfonyl)-4-(thiophen-2-yl)piperidine
CID 71786903

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The IUPAC name of N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide (CID 75508491) is N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide.
What is the SMILES notation for N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The canonical SMILES for N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide is CC#CCN(CCc1cccs1)S(=O)(=O)CC.
What is the InChIKey of N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The InChIKey is FQWCABQXLWHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-3-5-9-13(17(14,15)4-2)10-8-12-7-6-11-16-12/h6-7,11H,4,8-10H2,1-2H3.
What are the key properties of N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide has a molecular weight of 271.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide is sourced from PubChem (CID 75508491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).