1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine

C10H13ClFNO2S2 — CID 155976722

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(CF)CC1
InChIInChI=1S/C10H13ClFNO2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-7H2
InChIKeyMTHZZXFCCYGOTA-UHFFFAOYSA-N
MW297.80 g/mol
LogP2.77
Rot. Bonds3

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

1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine (PubChem CID 155976722) has the molecular formula C10H13ClFNO2S2 and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
PubChem CID155976722
Molecular FormulaC10H13ClFNO2S2
Molecular Weight297.80 g/mol
Exact Mass297.01
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(CF)CC1
InChIInChI=1S/C10H13ClFNO2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-7H2
InChIKeyMTHZZXFCCYGOTA-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110397007
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine
CID 71800978
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine (CID 155976722) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine is O=S(=O)(c1ccc(Cl)s1)N1CCC(CF)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
The InChIKey is MTHZZXFCCYGOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S2/c11-9-1-2-10(16-9)17(14,15)13-5-3-8(7-12)4-6-13/h1-2,8H,3-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine has a molecular weight of 297.80 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine is sourced from PubChem (CID 155976722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).