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

C20H32N2O5S2 — CID 130310218

IUPACN-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H32N2O5S2/c1-28(23,24)21-19-9-6-14-22(29(2,25)26)20(19)15-27-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-21H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1
InChIKeyDXJQJMSKQZROTF-GUMHCPJTSA-N
MW444.62 g/mol
LogP2.07
Rot. Bonds7

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

N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 130310218) has the molecular formula C20H32N2O5S2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID130310218
Molecular FormulaC20H32N2O5S2
Molecular Weight444.62 g/mol
Exact Mass444.18
IUPAC NameN-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H32N2O5S2/c1-28(23,24)21-19-9-6-14-22(29(2,25)26)20(19)15-27-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-21H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1
InChIKeyDXJQJMSKQZROTF-GUMHCPJTSA-N
XLogP2.07
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)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)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide (CID 130310218) is N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is DXJQJMSKQZROTF-GUMHCPJTSA-N. The full InChI is InChI=1S/C20H32N2O5S2/c1-28(23,24)21-19-9-6-14-22(29(2,25)26)20(19)15-27-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-21H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1.
What are the key properties of N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 444.62 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-methylsulfonyl-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 130310218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).