5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol

C14H22N2O3S — CID 58077090

IUPAC5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CC(N)C(O)C(C)(C)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-4-6-11(7-5-10)20(18,19)16-8-12(15)13(17)14(2,3)9-16/h4-7,12-13,17H,8-9,15H2,1-3H3
InChIKeyOXXVELQRWFHQRQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.71
Rot. Bonds2

About 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol

5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol (PubChem CID 58077090) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
PubChem CID58077090
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CC(N)C(O)C(C)(C)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-4-6-11(7-5-10)20(18,19)16-8-12(15)13(17)14(2,3)9-16/h4-7,12-13,17H,8-9,15H2,1-3H3
InChIKeyOXXVELQRWFHQRQ-UHFFFAOYSA-N
XLogP0.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Carbonic anhydrase inhibitors (CAIs), 3
CID 129012496
1-((4-(Aminomethyl)phenyl)sulfonyl)piperidin-4-ol
CID 16789662
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
CID 71911386
3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide
CID 75387065
2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
CID 75387066
2-Methyl-1-[(4-methylphenyl)sulfonyl]-4-piperidinol
CID 3143025
Tasin-30
CID 118308351
N-(3-hydroxybutyl)-4-methylbenzenesulfonamide
CID 64913520
2-[1-(4-Methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 358286
(3S)-1-[4-(aminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 154464873
N-[2-(2-hydroxyethylamino)ethyl]-4-methyl-benzenesulfonamide
CID 422660
(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 92297278

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol (CID 58077090) is 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CC(N)C(O)C(C)(C)C2)cc1.
What is the InChIKey of 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is OXXVELQRWFHQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-4-6-11(7-5-10)20(18,19)16-8-12(15)13(17)14(2,3)9-16/h4-7,12-13,17H,8-9,15H2,1-3H3.
What are the key properties of 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol?
5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 298.41 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 58077090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).