N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide

C30H37N3O3S — CID 155780732

IUPACN-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(c2cncc(-c3ccccc3)c2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H37N3O3S/c1-37(34,35)32-29-13-8-18-33(27-19-26(20-31-21-27)24-11-6-3-7-12-24)30(29)22-36-28-16-14-25(15-17-28)23-9-4-2-5-10-23/h2-7,9-12,19-21,25,28-30,32H,8,13-18,22H2,1H3/t25?,28?,29-,30-/m0/s1
InChIKeyIHIJDCQZSQQKPZ-HVQCEFRJSA-N
MW519.71 g/mol
LogP5.38
Rot. Bonds8

About N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide

N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide (PubChem CID 155780732) has the molecular formula C30H37N3O3S and a molecular weight of 519.71 g/mol. Its IUPAC name is N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide
PubChem CID155780732
Molecular FormulaC30H37N3O3S
Molecular Weight519.71 g/mol
Exact Mass519.26
IUPAC NameN-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(c2cncc(-c3ccccc3)c2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H37N3O3S/c1-37(34,35)32-29-13-8-18-33(27-19-26(20-31-21-27)24-11-6-3-7-12-24)30(29)22-36-28-16-14-25(15-17-28)23-9-4-2-5-10-23/h2-7,9-12,19-21,25,28-30,32H,8,13-18,22H2,1H3/t25?,28?,29-,30-/m0/s1
InChIKeyIHIJDCQZSQQKPZ-HVQCEFRJSA-N
XLogP5.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.71
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)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-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide (CID 155780732) is N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(c2cncc(-c3ccccc3)c2)[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is IHIJDCQZSQQKPZ-HVQCEFRJSA-N. The full InChI is InChI=1S/C30H37N3O3S/c1-37(34,35)32-29-13-8-18-33(27-19-26(20-31-21-27)24-11-6-3-7-12-24)30(29)22-36-28-16-14-25(15-17-28)23-9-4-2-5-10-23/h2-7,9-12,19-21,25,28-30,32H,8,13-18,22H2,1H3/t25?,28?,29-,30-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 519.71 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-(5-phenyl-3-pyridinyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 155780732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).