3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol

C15H24N2O3S — CID 43747980

IUPAC3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
SMILESCCCS(=O)(=O)N1CCC(NCc2cccc(O)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-2-10-21(19,20)17-8-6-14(7-9-17)16-12-13-4-3-5-15(18)11-13/h3-5,11,14,16,18H,2,6-10,12H2,1H3
InChIKeyXYPDIKMITQYUMQ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.69
Rot. Bonds6

About 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol

3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 43747980) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
PubChem CID43747980
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
SMILESCCCS(=O)(=O)N1CCC(NCc2cccc(O)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-2-10-21(19,20)17-8-6-14(7-9-17)16-12-13-4-3-5-15(18)11-13/h3-5,11,14,16,18H,2,6-10,12H2,1H3
InChIKeyXYPDIKMITQYUMQ-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol (CID 43747980) is 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol is CCCS(=O)(=O)N1CCC(NCc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is XYPDIKMITQYUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-10-21(19,20)17-8-6-14(7-9-17)16-12-13-4-3-5-15(18)11-13/h3-5,11,14,16,18H,2,6-10,12H2,1H3.
What are the key properties of 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol?
3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 312.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 43747980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).