[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol

C13H21NO3S2 — CID 114597646

IUPAC[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccsc2CO)C1
InChIInChI=1S/C13H21NO3S2/c1-9-6-10(2)11(3)14(7-9)19(16,17)13-4-5-18-12(13)8-15/h4-5,9-11,15H,6-8H2,1-3H3
InChIKeyFIRUSKHRSJRBGN-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.30
Rot. Bonds3

About [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol

[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol (PubChem CID 114597646) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
PubChem CID114597646
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC Name[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccsc2CO)C1
InChIInChI=1S/C13H21NO3S2/c1-9-6-10(2)11(3)14(7-9)19(16,17)13-4-5-18-12(13)8-15/h4-5,9-11,15H,6-8H2,1-3H3
InChIKeyFIRUSKHRSJRBGN-UHFFFAOYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 114597734
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
CID 114597620
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 114594596
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-2,3,5-trimethylpiperidine
CID 102920193
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594707
[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
CID 114597738
4-(2,3,5-trimethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 114593322
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
The IUPAC name of [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol (CID 114597646) is [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol.
What is the SMILES notation for [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
The canonical SMILES for [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol is CC1CC(C)C(C)N(S(=O)(=O)c2ccsc2CO)C1.
What is the InChIKey of [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
The InChIKey is FIRUSKHRSJRBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-9-6-10(2)11(3)14(7-9)19(16,17)13-4-5-18-12(13)8-15/h4-5,9-11,15H,6-8H2,1-3H3.
What are the key properties of [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol?
[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol has a molecular weight of 303.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol is sourced from PubChem (CID 114597646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).