2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol

C14H22N2O4S — CID 82012695

IUPAC2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol
SMILESNCc1cccc(S(=O)(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C14H22N2O4S/c15-11-12-2-1-3-14(10-12)21(18,19)16-6-4-13(5-7-16)20-9-8-17/h1-3,10,13,17H,4-9,11,15H2
InChIKeyVGOSWSWYXWWQDC-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.31
Rot. Bonds6

About 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol

2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol (PubChem CID 82012695) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol
PubChem CID82012695
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol
SMILESNCc1cccc(S(=O)(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C14H22N2O4S/c15-11-12-2-1-3-14(10-12)21(18,19)16-6-4-13(5-7-16)20-9-8-17/h1-3,10,13,17H,4-9,11,15H2
InChIKeyVGOSWSWYXWWQDC-UHFFFAOYSA-N
XLogP0.31
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992847
3-[1-[3-(methoxymethyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992775
2-[1-(3-amino-4-methylphenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012319
1-[3-(aminomethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106668585
1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 43579055
2-[1-(4-amino-3-fluorophenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82846393
1-[3-[4-(3-aminopropoxy)piperidin-1-yl]sulfonylphenyl]propan-1-one
CID 119992916
2-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012317
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
CID 102605751

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol (CID 82012695) is 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol is NCc1cccc(S(=O)(=O)N2CCC(OCCO)CC2)c1.
What is the InChIKey of 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol?
The InChIKey is VGOSWSWYXWWQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c15-11-12-2-1-3-14(10-12)21(18,19)16-6-4-13(5-7-16)20-9-8-17/h1-3,10,13,17H,4-9,11,15H2.
What are the key properties of 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol?
2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol has a molecular weight of 314.41 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol is sourced from PubChem (CID 82012695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).