1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine

C10H13Cl2NO2S2 — CID 3758298

IUPAC1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO2S2/c1-7-4-2-3-5-13(7)17(14,15)8-6-9(11)16-10(8)12/h6-7H,2-5H2,1H3
InChIKeyCHFYWQKGTKKPLC-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.62
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine

1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine (PubChem CID 3758298) has the molecular formula C10H13Cl2NO2S2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
PubChem CID3758298
Molecular FormulaC10H13Cl2NO2S2
Molecular Weight314.26 g/mol
Exact Mass312.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO2S2/c1-7-4-2-3-5-13(7)17(14,15)8-6-9(11)16-10(8)12/h6-7H,2-5H2,1H3
InChIKeyCHFYWQKGTKKPLC-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine 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-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
CID 55152333
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 26585324
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-2-methylpiperidine
CID 82884531
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
methyl 5-bromo-4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 42960419

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine (CID 3758298) is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine?
The InChIKey is CHFYWQKGTKKPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S2/c1-7-4-2-3-5-13(7)17(14,15)8-6-9(11)16-10(8)12/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine?
1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine has a molecular weight of 314.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 3758298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).