1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol

C9H11Cl2NO3S2 — CID 43502793

IUPAC1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCC(O)CC1
InChIInChI=1S/C9H11Cl2NO3S2/c10-8-5-7(9(11)16-8)17(14,15)12-3-1-6(13)2-4-12/h5-6,13H,1-4H2
InChIKeyYVAVILCLEZRDAP-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.20
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol

1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol (PubChem CID 43502793) has the molecular formula C9H11Cl2NO3S2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
PubChem CID43502793
Molecular FormulaC9H11Cl2NO3S2
Molecular Weight316.23 g/mol
Exact Mass314.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCC(O)CC1
InChIInChI=1S/C9H11Cl2NO3S2/c10-8-5-7(9(11)16-8)17(14,15)12-3-1-6(13)2-4-12/h5-6,13H,1-4H2
InChIKeyYVAVILCLEZRDAP-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962586
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
CID 43344137
N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63853195
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
CID 46743477
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
CID 23853542
[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55508764
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol (CID 43502793) is 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol is O=S(=O)(c1cc(Cl)sc1Cl)N1CCC(O)CC1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol?
The InChIKey is YVAVILCLEZRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3S2/c10-8-5-7(9(11)16-8)17(14,15)12-3-1-6(13)2-4-12/h5-6,13H,1-4H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol?
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol has a molecular weight of 316.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 43502793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).