3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile

C15H20N2O3S — CID 103834663

IUPAC3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
SMILESCC(O)C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N2O3S/c1-12(18)15-5-7-17(8-6-15)21(19,20)11-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,11H2,1H3
InChIKeyARDQTMRLTLJYPX-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.48
Rot. Bonds4

About 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile

3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile (PubChem CID 103834663) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
PubChem CID103834663
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
SMILESCC(O)C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N2O3S/c1-12(18)15-5-7-17(8-6-15)21(19,20)11-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,11H2,1H3
InChIKeyARDQTMRLTLJYPX-UHFFFAOYSA-N
XLogP1.48
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile 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

4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115965238
2-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 103834550
3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 66260603
3-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 43589681
3-[(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylmethyl]benzonitrile;hydrochloride
CID 120714352
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid
CID 115965126
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
3-[[2-(aminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115312346
3-[[2-(hydroxymethyl)morpholin-4-yl]sulfonylmethyl]benzonitrile
CID 81219812
3-[(3-amino-4-methylpyrrolidin-1-yl)sulfonylmethyl]benzonitrile
CID 103576343
3-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]sulfonylmethyl]benzonitrile
CID 124740854
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
CID 55171408

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile?
The IUPAC name of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile (CID 103834663) is 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile is CC(O)C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile?
The InChIKey is ARDQTMRLTLJYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12(18)15-5-7-17(8-6-15)21(19,20)11-14-4-2-3-13(9-14)10-16/h2-4,9,12,15,18H,5-8,11H2,1H3.
What are the key properties of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile?
3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile has a molecular weight of 308.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile is sourced from PubChem (CID 103834663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).