2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile

C14H18N2O3S — CID 62358133

IUPAC2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H18N2O3S/c15-10-13-5-1-2-6-14(13)20(18,19)16-8-3-4-12(11-16)7-9-17/h1-2,5-6,12,17H,3-4,7-9,11H2
InChIKeyDVTNSBKGBCJHIP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.34
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile

2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile (PubChem CID 62358133) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
PubChem CID62358133
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H18N2O3S/c15-10-13-5-1-2-6-14(13)20(18,19)16-8-3-4-12(11-16)7-9-17/h1-2,5-6,12,17H,3-4,7-9,11H2
InChIKeyDVTNSBKGBCJHIP-UHFFFAOYSA-N
XLogP1.34
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
2-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 63264321
2-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 110638544
N-[[1-(2-cyanophenyl)sulfonylpiperidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
CID 131910177
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784
2-(4-amino-3-oxoazepan-1-yl)sulfonylbenzonitrile
CID 18445246
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211960
2-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]sulfonylbenzonitrile
CID 155981899

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile (CID 62358133) is 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
The InChIKey is DVTNSBKGBCJHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-10-13-5-1-2-6-14(13)20(18,19)16-8-3-4-12(11-16)7-9-17/h1-2,5-6,12,17H,3-4,7-9,11H2.
What are the key properties of 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile?
2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile has a molecular weight of 294.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 62358133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).