N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide

C19H28N2O4S — CID 137440626

IUPACN-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1COC1CC(c2ccccc2)C1
InChIInChI=1S/C19H28N2O4S/c1-14(22)21-10-6-9-18(20-26(2,23)24)19(21)13-25-17-11-16(12-17)15-7-4-3-5-8-15/h3-5,7-8,16-20H,6,9-13H2,1-2H3/t16?,17?,18-,19-/m1/s1
InChIKeyRNHMRWOREOILHW-CSODTCANSA-N
MW380.51 g/mol
LogP1.88
Rot. Bonds6

About N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide

N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 137440626) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID137440626
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1COC1CC(c2ccccc2)C1
InChIInChI=1S/C19H28N2O4S/c1-14(22)21-10-6-9-18(20-26(2,23)24)19(21)13-25-17-11-16(12-17)15-7-4-3-5-8-15/h3-5,7-8,16-20H,6,9-13H2,1-2H3/t16?,17?,18-,19-/m1/s1
InChIKeyRNHMRWOREOILHW-CSODTCANSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
CID 130336178
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024
N-[(2R,3S)-1-acetyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310293
N-[(2S,3R)-1-(oxetane-3-carbonyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472007
N-[(2R,3S)-1-acetyl-2-[[4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310251
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-[2-(1,3-thiazol-2-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 130310216
1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone
CID 166854328
(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxamide
CID 154681390
tert-butyl (2R,3S)-2-[[(3S)-3-(3-hydroxyphenyl)cyclopentyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 170655748

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide (CID 137440626) is N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide is CC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1COC1CC(c2ccccc2)C1.
What is the InChIKey of N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is RNHMRWOREOILHW-CSODTCANSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14(22)21-10-6-9-18(20-26(2,23)24)19(21)13-25-17-11-16(12-17)15-7-4-3-5-8-15/h3-5,7-8,16-20H,6,9-13H2,1-2H3/t16?,17?,18-,19-/m1/s1.
What are the key properties of N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).