2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile

C14H18N2O3S — CID 103834546

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
SMILESCC(O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2O3S/c1-11(17)12-6-8-16(9-7-12)20(18,19)14-5-3-2-4-13(14)10-15/h2-5,11-12,17H,6-9H2,1H3
InChIKeyFUXKUBDHWJJHGL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.34
Rot. Bonds3

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile

2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile (PubChem CID 103834546) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
PubChem CID103834546
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
SMILESCC(O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2O3S/c1-11(17)12-6-8-16(9-7-12)20(18,19)14-5-3-2-4-13(14)10-15/h2-5,11-12,17H,6-9H2,1H3
InChIKeyFUXKUBDHWJJHGL-UHFFFAOYSA-N
XLogP1.34
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-cyclopropylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110708874
2-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 103834550
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835669
5-amino-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 115964792
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
CID 8559474
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
N-[(2S)-butan-2-yl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9286849
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 9286682
tert-butyl N-[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbamate
CID 55736897

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile (CID 103834546) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile is CC(O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
The InChIKey is FUXKUBDHWJJHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(17)12-6-8-16(9-7-12)20(18,19)14-5-3-2-4-13(14)10-15/h2-5,11-12,17H,6-9H2,1H3.
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile has a molecular weight of 294.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 103834546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).