1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol

C14H22N2O3S — CID 62144901

IUPAC1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol
SMILESCCCNc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-9-15-12-3-5-14(6-4-12)20(18,19)16-10-7-13(17)8-11-16/h3-6,13,15,17H,2,7-11H2,1H3
InChIKeyNYIBUTKLXZXGLL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol

1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol (PubChem CID 62144901) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol
PubChem CID62144901
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol
SMILESCCCNc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-9-15-12-3-5-14(6-4-12)20(18,19)16-10-7-13(17)8-11-16/h3-6,13,15,17H,2,7-11H2,1H3
InChIKeyNYIBUTKLXZXGLL-UHFFFAOYSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline
CID 63626359
4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
CID 62148455
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
4-(4-benzylpiperidin-1-yl)sulfonyl-N-butylaniline
CID 110826779
N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
4-(4-benzylpiperidin-1-yl)sulfonyl-N-hexylaniline
CID 110826840
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(4-hydrazinylphenyl)sulfonylpyrrolidin-3-ol
CID 62941759
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol (CID 62144901) is 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol is CCCNc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is NYIBUTKLXZXGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-9-15-12-3-5-14(6-4-12)20(18,19)16-10-7-13(17)8-11-16/h3-6,13,15,17H,2,7-11H2,1H3.
What are the key properties of 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol?
1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 298.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 62144901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).