N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide

C22H30N2O3S — CID 97217880

IUPACN-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O3S/c25-22(21-9-5-2-6-10-21)18-24-14-11-20(12-15-24)17-23-28(26,27)16-13-19-7-3-1-4-8-19/h1-10,20,22-23,25H,11-18H2/t22-/m1/s1
InChIKeyNFRKTSSEDMIDTK-JOCHJYFZSA-N
MW402.56 g/mol
LogP2.59
Rot. Bonds9

About N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide

N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide (PubChem CID 97217880) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
PubChem CID97217880
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O3S/c25-22(21-9-5-2-6-10-21)18-24-14-11-20(12-15-24)17-23-28(26,27)16-13-19-7-3-1-4-8-19/h1-10,20,22-23,25H,11-18H2/t22-/m1/s1
InChIKeyNFRKTSSEDMIDTK-JOCHJYFZSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121108365
1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95607291
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151
N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
CID 106125625

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide (CID 97217880) is N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The InChIKey is NFRKTSSEDMIDTK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N2O3S/c25-22(21-9-5-2-6-10-21)18-24-14-11-20(12-15-24)17-23-28(26,27)16-13-19-7-3-1-4-8-19/h1-10,20,22-23,25H,11-18H2/t22-/m1/s1.
What are the key properties of N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 97217880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).