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

C17H28N2O3S — CID 124735855

IUPAC(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H28N2O3S/c1-14-5-4-6-16(11-14)12-19-9-7-17(8-10-19)18-23(20,21)13-15(2)22-3/h4-6,11,15,17-18H,7-10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNWZFZPGKDRIILQ-OAHLLOKOSA-N
MW340.49 g/mol
LogP1.91
Rot. Bonds7

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

(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 124735855) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID124735855
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H28N2O3S/c1-14-5-4-6-16(11-14)12-19-9-7-17(8-10-19)18-23(20,21)13-15(2)22-3/h4-6,11,15,17-18H,7-10,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNWZFZPGKDRIILQ-OAHLLOKOSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 100660209
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide
CID 136532330
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
(2R)-3-methoxy-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 99785782
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
N-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 25040953
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide (CID 124735855) is (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)NC1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is NWZFZPGKDRIILQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-14-5-4-6-16(11-14)12-19-9-7-17(8-10-19)18-23(20,21)13-15(2)22-3/h4-6,11,15,17-18H,7-10,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide?
(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 124735855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).