(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide

C18H30N2O3S — CID 99785782

IUPAC(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCOC[C@@H](C)CS(=O)(=O)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C18H30N2O3S/c1-15(13-23-3)14-24(21,22)19-18-8-10-20(11-9-18)12-17-7-5-4-6-16(17)2/h4-7,15,18-19H,8-14H2,1-3H3/t15-/m1/s1
InChIKeyREOMVZZPJBQAPX-OAHLLOKOSA-N
MW354.52 g/mol
LogP2.16
Rot. Bonds8

About (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide

(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 99785782) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID99785782
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCOC[C@@H](C)CS(=O)(=O)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C18H30N2O3S/c1-15(13-23-3)14-24(21,22)19-18-8-10-20(11-9-18)12-17-7-5-4-6-16(17)2/h4-7,15,18-19H,8-14H2,1-3H3/t15-/m1/s1
InChIKeyREOMVZZPJBQAPX-OAHLLOKOSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide
CID 136532330
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 124735855
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
3-bromo-5-chloro-2-methoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 55914799
1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
CID 110714984
2-[[4-(propylsulfonylamino)piperidin-1-yl]methyl]benzoic acid
CID 138003771
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 167988186
4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 120641523

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide (CID 99785782) is (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide is COC[C@@H](C)CS(=O)(=O)NC1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is REOMVZZPJBQAPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-15(13-23-3)14-24(21,22)19-18-8-10-20(11-9-18)12-17-7-5-4-6-16(17)2/h4-7,15,18-19H,8-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 99785782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).