cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

C24H30N2O4S — CID 137461385

IUPACcyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)OCC2CC2)[C@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H30N2O4S/c1-31(28,29)25-22-11-6-14-26(24(27)30-17-18-12-13-18)23(22)16-19-7-5-10-21(15-19)20-8-3-2-4-9-20/h2-5,7-10,15,18,22-23,25H,6,11-14,16-17H2,1H3/t22-,23-/m0/s1
InChIKeyVUWWBJCMIJIFRQ-GOTSBHOMSA-N
MW442.58 g/mol
LogP3.82
Rot. Bonds7

About cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (PubChem CID 137461385) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
PubChem CID137461385
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Namecyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)OCC2CC2)[C@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H30N2O4S/c1-31(28,29)25-22-11-6-14-26(24(27)30-17-18-12-13-18)23(22)16-19-7-5-10-21(15-19)20-8-3-2-4-9-20/h2-5,7-10,15,18,22-23,25H,6,11-14,16-17H2,1H3/t22-,23-/m0/s1
InChIKeyVUWWBJCMIJIFRQ-GOTSBHOMSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460911
2-methylpropyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461277
oxolan-2-ylmethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461161
2,2-difluoroethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462199
2,2,2-trifluoroethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461560
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460644
N-[1-butanoyl-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 147041468
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539
(1-methylcyclopropyl)methyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461947
methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (CID 137461385) is cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is CS(=O)(=O)N[C@H]1CCCN(C(=O)OCC2CC2)[C@H]1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is VUWWBJCMIJIFRQ-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-31(28,29)25-22-11-6-14-26(24(27)30-17-18-12-13-18)23(22)16-19-7-5-10-21(15-19)20-8-3-2-4-9-20/h2-5,7-10,15,18,22-23,25H,6,11-14,16-17H2,1H3/t22-,23-/m0/s1.
What are the key properties of cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 442.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137461385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).