ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate

C16H24N2O4S — CID 95328331

IUPACethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-22-16(19)18-11-9-15(10-12-18)23(20,21)17-13(2)14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3/t13-/m1/s1
InChIKeyYISXJMNURYHJPZ-CYBMUJFWSA-N
MW340.45 g/mol
LogP2.29
Rot. Bonds5

About ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate

ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate (PubChem CID 95328331) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
PubChem CID95328331
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nameethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-22-16(19)18-11-9-15(10-12-18)23(20,21)17-13(2)14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3/t13-/m1/s1
InChIKeyYISXJMNURYHJPZ-CYBMUJFWSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46798149
ethyl 4-[3-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 24789953
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
ethyl 4-[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 126156286
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
CID 109020253
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate (CID 95328331) is ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(S(=O)(=O)N[C@H](C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate?
The InChIKey is YISXJMNURYHJPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-16(19)18-11-9-15(10-12-18)23(20,21)17-13(2)14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate?
ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 95328331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).