propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate

C21H28N2O4S — CID 137461538

IUPACpropan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O4S/c1-15(2)27-21(24)23-12-6-9-19(22-28(3,25)26)20(23)14-16-10-11-17-7-4-5-8-18(17)13-16/h4-5,7-8,10-11,13,15,19-20,22H,6,9,12,14H2,1-3H3/t19-,20-/m1/s1
InChIKeyWOXMOFBHRXQSNR-WOJBJXKFSA-N
MW404.53 g/mol
LogP3.31
Rot. Bonds5

About propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate

propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 137461538) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate
PubChem CID137461538
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Namepropan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O4S/c1-15(2)27-21(24)23-12-6-9-19(22-28(3,25)26)20(23)14-16-10-11-17-7-4-5-8-18(17)13-16/h4-5,7-8,10-11,13,15,19-20,22H,6,9,12,14H2,1-3H3/t19-,20-/m1/s1
InChIKeyWOXMOFBHRXQSNR-WOJBJXKFSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-(methanesulfonamido)-2-[(3-pyrimidin-2-ylphenyl)methyl]piperidine-1-carboxylate
CID 137469761
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137461992
propan-2-yl (2R,3R)-2-[(6-bromo-2-pyridinyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137461196
2-methylpropyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461277
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
methyl (2S,3S)-2-[(3-iodophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137460970
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 137461096
N-[(2S,3S)-1-(2,2-difluoroacetyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 137462211
methyl 3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137461118
cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461385
methyl 3-(methanesulfonamido)-2-[[3-(2-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137462140

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate (CID 137461538) is propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate is CC(C)OC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1ccc2ccccc2c1.
What is the InChIKey of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is WOXMOFBHRXQSNR-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)27-21(24)23-12-6-9-19(22-28(3,25)26)20(23)14-16-10-11-17-7-4-5-8-18(17)13-16/h4-5,7-8,10-11,13,15,19-20,22H,6,9,12,14H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate?
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 404.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 137461538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).