2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride

C12H19Cl3N2O2S2 — CID 120718381

IUPAC2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1.Cl
InChIInChI=1S/C12H18Cl2N2O2S2.ClH/c1-15-5-2-9-3-6-16(7-4-9)20(17,18)10-8-11(13)19-12(10)14;/h8-9,15H,2-7H2,1H3;1H
InChIKeyCSVXFDNGILYTBX-UHFFFAOYSA-N
MW393.79 g/mol
LogP3.49
Rot. Bonds5

About 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120718381) has the molecular formula C12H19Cl3N2O2S2 and a molecular weight of 393.79 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120718381
Molecular FormulaC12H19Cl3N2O2S2
Molecular Weight393.79 g/mol
Exact Mass392.00
IUPAC Name2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1.Cl
InChIInChI=1S/C12H18Cl2N2O2S2.ClH/c1-15-5-2-9-3-6-16(7-4-9)20(17,18)10-8-11(13)19-12(10)14;/h8-9,15H,2-7H2,1H3;1H
InChIKeyCSVXFDNGILYTBX-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride 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-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
CID 43605263
4-(bromomethyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine
CID 80670130
N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63853195
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962586
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
CID 46743477
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
CID 120718277
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
CID 43344137
2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718293

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120718381) is 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride is CNCCC1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1.Cl.
What is the InChIKey of 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is CSVXFDNGILYTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S2.ClH/c1-15-5-2-9-3-6-16(7-4-9)20(17,18)10-8-11(13)19-12(10)14;/h8-9,15H,2-7H2,1H3;1H.
What are the key properties of 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 393.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120718381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).