N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide

C23H38N2O4S — CID 167117772

IUPACN-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCC[C@H](C)Oc1ccccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1
InChIInChI=1S/C23H38N2O4S/c1-4-17(2)29-23-10-6-5-8-20(23)18-11-13-19(14-12-18)28-16-22-21(9-7-15-24-22)25-30(3,26)27/h5-6,8,10,17-19,21-22,24-25H,4,7,9,11-16H2,1-3H3/t17-,18?,19?,21-,22-/m0/s1
InChIKeyDBIGXTSFGXZZCH-LYRWKLJTSA-N
MW438.63 g/mol
LogP3.58
Rot. Bonds9

About N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide

N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 167117772) has the molecular formula C23H38N2O4S and a molecular weight of 438.63 g/mol. Its IUPAC name is N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID167117772
Molecular FormulaC23H38N2O4S
Molecular Weight438.63 g/mol
Exact Mass438.26
IUPAC NameN-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCC[C@H](C)Oc1ccccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1
InChIInChI=1S/C23H38N2O4S/c1-4-17(2)29-23-10-6-5-8-20(23)18-11-13-19(14-12-18)28-16-22-21(9-7-15-24-22)25-30(3,26)27/h5-6,8,10,17-19,21-22,24-25H,4,7,9,11-16H2,1-3H3/t17-,18?,19?,21-,22-/m0/s1
InChIKeyDBIGXTSFGXZZCH-LYRWKLJTSA-N
XLogP3.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.63
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (CID 167117772) is N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is CC[C@H](C)Oc1ccccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1.
What is the InChIKey of N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is DBIGXTSFGXZZCH-LYRWKLJTSA-N. The full InChI is InChI=1S/C23H38N2O4S/c1-4-17(2)29-23-10-6-5-8-20(23)18-11-13-19(14-12-18)28-16-22-21(9-7-15-24-22)25-30(3,26)27/h5-6,8,10,17-19,21-22,24-25H,4,7,9,11-16H2,1-3H3/t17-,18?,19?,21-,22-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 438.63 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[[4-[2-[(2S)-butan-2-yl]oxyphenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 167117772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).