ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate

C15H22N2O4S — CID 124740002

IUPACethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate
SMILESCCOC(=O)[C@H](c1ccccc1)N1CCC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(18)14(12-7-4-3-5-8-12)17-10-6-9-13(11-17)22(16,19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H2,16,19,20)/t13-,14-/m0/s1
InChIKeyUFFFKWWHPFSKQL-KBPBESRZSA-N
MW326.42 g/mol
LogP1.04
Rot. Bonds5

About ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate

ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate (PubChem CID 124740002) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate
PubChem CID124740002
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate
SMILESCCOC(=O)[C@H](c1ccccc1)N1CCC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(18)14(12-7-4-3-5-8-12)17-10-6-9-13(11-17)22(16,19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H2,16,19,20)/t13-,14-/m0/s1
InChIKeyUFFFKWWHPFSKQL-KBPBESRZSA-N
XLogP1.04
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
ethyl (3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724183
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724508
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate?
The IUPAC name of ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate (CID 124740002) is ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate.
What is the SMILES notation for ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate?
The canonical SMILES for ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate is CCOC(=O)[C@H](c1ccccc1)N1CCC[C@H](S(N)(=O)=O)C1.
What is the InChIKey of ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate?
The InChIKey is UFFFKWWHPFSKQL-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-21-15(18)14(12-7-4-3-5-8-12)17-10-6-9-13(11-17)22(16,19)20/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H2,16,19,20)/t13-,14-/m0/s1.
What are the key properties of ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate?
ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate has a molecular weight of 326.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate is sourced from PubChem (CID 124740002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).