1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

C14H16ClNO5S3 — CID 90590695

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H16ClNO5S3/c15-13-3-4-14(22-13)24(19,20)16-7-5-12(6-8-16)23(17,18)10-11-2-1-9-21-11/h1-4,9,12H,5-8,10H2
InChIKeyHMXFYAHFEQHBPG-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.76
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (PubChem CID 90590695) has the molecular formula C14H16ClNO5S3 and a molecular weight of 409.94 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID90590695
Molecular FormulaC14H16ClNO5S3
Molecular Weight409.94 g/mol
Exact Mass408.99
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H16ClNO5S3/c15-13-3-4-14(22-13)24(19,20)16-7-5-12(6-8-16)23(17,18)10-11-2-1-9-21-11/h1-4,9,12H,5-8,10H2
InChIKeyHMXFYAHFEQHBPG-UHFFFAOYSA-N
XLogP2.76
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine 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

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 53118948
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590683
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (CID 90590695) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The InChIKey is HMXFYAHFEQHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5S3/c15-13-3-4-14(22-13)24(19,20)16-7-5-12(6-8-16)23(17,18)10-11-2-1-9-21-11/h1-4,9,12H,5-8,10H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine has a molecular weight of 409.94 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 90590695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).