tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate

C23H36N2O6S — CID 170655748

IUPACtert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CC[C@H](c2cccc(O)c2)C1
InChIInChI=1S/C23H36N2O6S/c1-23(2,3)31-22(27)25-12-6-9-20(24-32(4,28)29)21(25)15-30-19-11-10-17(14-19)16-7-5-8-18(26)13-16/h5,7-8,13,17,19-21,24,26H,6,9-12,14-15H2,1-4H3/t17-,19?,20-,21-/m0/s1
InChIKeyBUYWQUDUEGLPDY-QOKQSESGSA-N
MW468.62 g/mol
LogP3.36
Rot. Bonds6

About tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate

tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate (PubChem CID 170655748) has the molecular formula C23H36N2O6S and a molecular weight of 468.62 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
PubChem CID170655748
Molecular FormulaC23H36N2O6S
Molecular Weight468.62 g/mol
Exact Mass468.23
IUPAC Nametert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CC[C@H](c2cccc(O)c2)C1
InChIInChI=1S/C23H36N2O6S/c1-23(2,3)31-22(27)25-12-6-9-20(24-32(4,28)29)21(25)15-30-19-11-10-17(14-19)16-7-5-8-18(26)13-16/h5,7-8,13,17,19-21,24,26H,6,9-12,14-15H2,1-4H3/t17-,19?,20-,21-/m0/s1
InChIKeyBUYWQUDUEGLPDY-QOKQSESGSA-N
XLogP3.36
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(methanesulfonamido)-2-[[3-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]cyclopentyl]oxymethyl]piperidine-1-carboxylate
CID 163370325
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
N-[(2R,3S)-1-acetyl-2-[[4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310251
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 137440626
methyl (2R,3S)-2-[[4-(2,6-difluorophenyl)cyclohexyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 130310270
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024
N-[(2S,3R)-1-(oxetane-3-carbonyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472007
butyl 3-amino-2-[[4-(3-hydroxyphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate;ethane
CID 163370217
methyl (2R,3S)-3-(methanesulfonamido)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidine-1-carboxylate
CID 130310104
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
tert-butyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461347

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate (CID 170655748) is tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CC[C@H](c2cccc(O)c2)C1.
What is the InChIKey of tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
The InChIKey is BUYWQUDUEGLPDY-QOKQSESGSA-N. The full InChI is InChI=1S/C23H36N2O6S/c1-23(2,3)31-22(27)25-12-6-9-20(24-32(4,28)29)21(25)15-30-19-11-10-17(14-19)16-7-5-8-18(26)13-16/h5,7-8,13,17,19-21,24,26H,6,9-12,14-15H2,1-4H3/t17-,19?,20-,21-/m0/s1.
What are the key properties of tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate has a molecular weight of 468.62 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate is sourced from PubChem (CID 170655748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).