3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide

C20H30N2O4S — CID 91813014

IUPAC3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H30N2O4S/c23-20(10-15-27(24,25)19-4-2-1-3-5-19)21-16-17-6-11-22(12-7-17)18-8-13-26-14-9-18/h1-5,17-18H,6-16H2,(H,21,23)
InChIKeyLLIUHEWZSWSLNW-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.86
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide

3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide (PubChem CID 91813014) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide
PubChem CID91813014
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H30N2O4S/c23-20(10-15-27(24,25)19-4-2-1-3-5-19)21-16-17-6-11-22(12-7-17)18-8-13-26-14-9-18/h1-5,17-18H,6-16H2,(H,21,23)
InChIKeyLLIUHEWZSWSLNW-UHFFFAOYSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide (CID 91813014) is 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide?
The InChIKey is LLIUHEWZSWSLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c23-20(10-15-27(24,25)19-4-2-1-3-5-19)21-16-17-6-11-22(12-7-17)18-8-13-26-14-9-18/h1-5,17-18H,6-16H2,(H,21,23).
What are the key properties of 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide?
3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide has a molecular weight of 394.54 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 91813014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).