4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol

C18H30N2O3S — CID 118308351

IUPAC4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(NCCC(C)O)CC2)c(C)c1
InChIInChI=1S/C18H30N2O3S/c1-13-11-14(2)18(15(3)12-13)24(22,23)20-9-6-17(7-10-20)19-8-5-16(4)21/h11-12,16-17,19,21H,5-10H2,1-4H3
InChIKeyKWHTXYFUJIBRNB-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.13
Rot. Bonds6

About 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol

4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol (PubChem CID 118308351) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol
PubChem CID118308351
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(NCCC(C)O)CC2)c(C)c1
InChIInChI=1S/C18H30N2O3S/c1-13-11-14(2)18(15(3)12-13)24(22,23)20-9-6-17(7-10-20)19-8-5-16(4)21/h11-12,16-17,19,21H,5-10H2,1-4H3
InChIKeyKWHTXYFUJIBRNB-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol (CID 118308351) is 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol is Cc1cc(C)c(S(=O)(=O)N2CCC(NCCC(C)O)CC2)c(C)c1.
What is the InChIKey of 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol?
The InChIKey is KWHTXYFUJIBRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-13-11-14(2)18(15(3)12-13)24(22,23)20-9-6-17(7-10-20)19-8-5-16(4)21/h11-12,16-17,19,21H,5-10H2,1-4H3.
What are the key properties of 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol?
4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol has a molecular weight of 354.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 118308351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).