1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol

C12H19NO3S2 — CID 138531761

IUPAC1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol
SMILESCC(C)c1cc(S(=O)(=O)N2CCC(O)CC2)cs1
InChIInChI=1S/C12H19NO3S2/c1-9(2)12-7-11(8-17-12)18(15,16)13-5-3-10(14)4-6-13/h7-10,14H,3-6H2,1-2H3
InChIKeyGBVJCTMELLYIBG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.02
Rot. Bonds3

About 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol

1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol (PubChem CID 138531761) has the molecular formula C12H19NO3S2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol
PubChem CID138531761
Molecular FormulaC12H19NO3S2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC Name1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol
SMILESCC(C)c1cc(S(=O)(=O)N2CCC(O)CC2)cs1
InChIInChI=1S/C12H19NO3S2/c1-9(2)12-7-11(8-17-12)18(15,16)13-5-3-10(14)4-6-13/h7-10,14H,3-6H2,1-2H3
InChIKeyGBVJCTMELLYIBG-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 134014788
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
CID 29052125
1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 91759163
[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol
CID 103504117
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol (CID 138531761) is 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol is CC(C)c1cc(S(=O)(=O)N2CCC(O)CC2)cs1.
What is the InChIKey of 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol?
The InChIKey is GBVJCTMELLYIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S2/c1-9(2)12-7-11(8-17-12)18(15,16)13-5-3-10(14)4-6-13/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol?
1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol has a molecular weight of 289.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-ylthiophen-3-yl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 138531761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).