1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide

C17H24N2O5S — CID 7130571

IUPAC1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O5S/c20-17(18-12-15-13-23-10-11-24-15)14-6-8-19(9-7-14)25(21,22)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,18,20)/t15-/m1/s1
InChIKeyAVIYLHLUHDTLKT-OAHLLOKOSA-N
MW368.46 g/mol
LogP0.62
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 7130571) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID7130571
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O5S/c20-17(18-12-15-13-23-10-11-24-15)14-6-8-19(9-7-14)25(21,22)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,18,20)/t15-/m1/s1
InChIKeyAVIYLHLUHDTLKT-OAHLLOKOSA-N
XLogP0.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(benzenesulfonyl)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 133167045
1-(4-methylsulfanylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 7445179
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55341023
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
(3R)-1-(benzenesulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-3-carboxamide
CID 38835309
N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642629

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide (CID 7130571) is 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@@H]1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is AVIYLHLUHDTLKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O5S/c20-17(18-12-15-13-23-10-11-24-15)14-6-8-19(9-7-14)25(21,22)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,18,20)/t15-/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 7130571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).