N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide

C18H28N2O3S — CID 130310375

IUPACN-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)20-17-8-5-11-19-18(17)13-23-16-10-9-15(12-16)14-6-3-2-4-7-14/h2-4,6-7,15-20H,5,8-13H2,1H3/t15?,16?,17-,18-/m0/s1
InChIKeyWGCIODMNGNEUGE-FOIPXRHGSA-N
MW352.50 g/mol
LogP2.01
Rot. Bonds6

About N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide

N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 130310375) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID130310375
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)20-17-8-5-11-19-18(17)13-23-16-10-9-15(12-16)14-6-3-2-4-7-14/h2-4,6-7,15-20H,5,8-13H2,1H3/t15?,16?,17-,18-/m0/s1
InChIKeyWGCIODMNGNEUGE-FOIPXRHGSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 155054694
N-[(2R,3S)-2-[[4-(2-propan-2-yloxyphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 156747246
N-[(2R,3S)-2-[[4-(2-ethoxyphenyl)cyclohexyl]oxymethyl]azepan-3-yl]methanesulfonamide
CID 167278743
N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310192
N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 167117772
N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-5-(2-trimethylsilylethynyl)pyrrolidin-3-yl]methanesulfonamide
CID 154622432
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 137440626
2,2-difluoroethanol;2,2-difluoroethyl (3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate;methane;N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 164993046
N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]propane-2-sulfonamide
CID 167117529
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide (CID 130310375) is N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)C1.
What is the InChIKey of N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is WGCIODMNGNEUGE-FOIPXRHGSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(21,22)20-17-8-5-11-19-18(17)13-23-16-10-9-15(12-16)14-6-3-2-4-7-14/h2-4,6-7,15-20H,5,8-13H2,1H3/t15?,16?,17-,18-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 130310375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).