1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol

C16H25NO3S — CID 3867017

IUPAC1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCCC(O)C2)c(C)c1C
InChIInChI=1S/C16H25NO3S/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)17-8-6-7-15(18)9-17/h15,18H,6-9H2,1-5H3
InChIKeyCWDQQCPKMAMYMG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.37
Rot. Bonds2

About 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol

1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol (PubChem CID 3867017) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
PubChem CID3867017
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCCC(O)C2)c(C)c1C
InChIInChI=1S/C16H25NO3S/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)17-8-6-7-15(18)9-17/h15,18H,6-9H2,1-5H3
InChIKeyCWDQQCPKMAMYMG-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol 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

(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
3-(3-hydroxypiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 63743648
1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol
CID 43502745
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol
CID 43502770
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 103847906
(3S)-1-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-ol
CID 107225150
(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319
[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061807
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol (CID 3867017) is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol is Cc1c(C)c(C)c(S(=O)(=O)N2CCCC(O)C2)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is CWDQQCPKMAMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)17-8-6-7-15(18)9-17/h15,18H,6-9H2,1-5H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol?
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 311.45 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 3867017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).