(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane

C17H26N2O2S — CID 95241513

IUPAC(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
SMILESO=S(=O)(c1ccccc1)N1CCCCC[C@@H]1C1CCNCC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,16-7-3-1-4-8-16)19-14-6-2-5-9-17(19)15-10-12-18-13-11-15/h1,3-4,7-8,15,17-18H,2,5-6,9-14H2/t17-/m1/s1
InChIKeyFRIIQSCUEJIFFD-QGZVFWFLSA-N
MW322.47 g/mol
LogP2.62
Rot. Bonds3

About (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane

(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane (PubChem CID 95241513) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
PubChem CID95241513
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
SMILESO=S(=O)(c1ccccc1)N1CCCCC[C@@H]1C1CCNCC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,16-7-3-1-4-8-16)19-14-6-2-5-9-17(19)15-10-12-18-13-11-15/h1,3-4,7-8,15,17-18H,2,5-6,9-14H2/t17-/m1/s1
InChIKeyFRIIQSCUEJIFFD-QGZVFWFLSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 54592723
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
CID 60978954
1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine
CID 67246345
1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
CID 60620481
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977886
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79535712
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane?
The IUPAC name of (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane (CID 95241513) is (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane is O=S(=O)(c1ccccc1)N1CCCCC[C@@H]1C1CCNCC1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane?
The InChIKey is FRIIQSCUEJIFFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,16-7-3-1-4-8-16)19-14-6-2-5-9-17(19)15-10-12-18-13-11-15/h1,3-4,7-8,15,17-18H,2,5-6,9-14H2/t17-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane?
(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane has a molecular weight of 322.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane is sourced from PubChem (CID 95241513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).