N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide

C18H26N2O4S — CID 95379448

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C18H26N2O4S/c1-25(23,24)20-11-9-14(10-12-20)17(21)19-13-18(22,16-7-8-16)15-5-3-2-4-6-15/h2-6,14,16,22H,7-13H2,1H3,(H,19,21)/t18-/m1/s1
InChIKeyDKZQEQXPTHHBMP-GOSISDBHSA-N
MW366.48 g/mol
LogP1.07
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 95379448) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID95379448
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C18H26N2O4S/c1-25(23,24)20-11-9-14(10-12-20)17(21)19-13-18(22,16-7-8-16)15-5-3-2-4-6-15/h2-6,14,16,22H,7-13H2,1H3,(H,19,21)/t18-/m1/s1
InChIKeyDKZQEQXPTHHBMP-GOSISDBHSA-N
XLogP1.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-phenylethyl)-N-propylpiperidine-4-carboxamide
CID 53527793
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 56765460
N-(2-(2-fluorophenyl)-2-methoxypropyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71810637
N-(2-hydroxy-2-phenylpropyl)cyclopropanecarboxamide
CID 56765332
N-(2-hydroxy-2-phenylpropyl)pent-4-enamide
CID 56765333
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71782164
N-(2-hydroxy-2-phenylpropyl)cyclohex-3-enecarboxamide
CID 71796886
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-pentenamide
CID 95379318
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]-1-mesyl-4-piperidinecarboxamide
CID 97416884
1-methanesulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 71781986
N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide
CID 22176543
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-N-methylpiperidine-4-carboxamide
CID 53587099

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 95379448) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DKZQEQXPTHHBMP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-25(23,24)20-11-9-14(10-12-20)17(21)19-13-18(22,16-7-8-16)15-5-3-2-4-6-15/h2-6,14,16,22H,7-13H2,1H3,(H,19,21)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 95379448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).