methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate

C18H28N2O4S — CID 126745967

IUPACmethyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate
SMILESCOC(=O)[C@@H](CCCC1CCNCC1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H28N2O4S/c1-24-18(21)17(9-5-8-15-10-12-19-13-11-15)20-25(22,23)14-16-6-3-2-4-7-16/h2-4,6-7,15,17,19-20H,5,8-14H2,1H3/t17-/m1/s1
InChIKeyCFCRBYAVLYAVJD-QGZVFWFLSA-N
MW368.50 g/mol
LogP1.82
Rot. Bonds9

About methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate

methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate (PubChem CID 126745967) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate
PubChem CID126745967
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Namemethyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate
SMILESCOC(=O)[C@@H](CCCC1CCNCC1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H28N2O4S/c1-24-18(21)17(9-5-8-15-10-12-19-13-11-15)20-25(22,23)14-16-6-3-2-4-7-16/h2-4,6-7,15,17,19-20H,5,8-14H2,1H3/t17-/m1/s1
InChIKeyCFCRBYAVLYAVJD-QGZVFWFLSA-N
XLogP1.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate?
The IUPAC name of methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate (CID 126745967) is methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate.
What is the SMILES notation for methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate?
The canonical SMILES for methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate is COC(=O)[C@@H](CCCC1CCNCC1)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate?
The InChIKey is CFCRBYAVLYAVJD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-24-18(21)17(9-5-8-15-10-12-19-13-11-15)20-25(22,23)14-16-6-3-2-4-7-16/h2-4,6-7,15,17,19-20H,5,8-14H2,1H3/t17-/m1/s1.
What are the key properties of methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate?
methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate has a molecular weight of 368.50 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(benzylsulfonylamino)-5-piperidin-4-ylpentanoate is sourced from PubChem (CID 126745967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).