4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide

C18H26N4O3S — CID 25304086

IUPAC4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1
InChIInChI=1S/C18H26N4O3S/c1-21-12-16(10-19-21)14-22-9-3-4-15(13-22)11-20-26(23,24)18-7-5-17(25-2)6-8-18/h5-8,10,12,15,20H,3-4,9,11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyWQGSWBMUBPYDOT-OAHLLOKOSA-N
MW378.50 g/mol
LogP1.62
Rot. Bonds7

About 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide

4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 25304086) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID25304086
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1
InChIInChI=1S/C18H26N4O3S/c1-21-12-16(10-19-21)14-22-9-3-4-15(13-22)11-20-26(23,24)18-7-5-17(25-2)6-8-18/h5-8,10,12,15,20H,3-4,9,11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyWQGSWBMUBPYDOT-OAHLLOKOSA-N
XLogP1.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 25302920
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 97268124
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 56760043
4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 45226658
4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 25458978
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 25370158
4-methoxy-N-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42198115
4-methoxy-N-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42527977

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide (CID 25304086) is 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is WQGSWBMUBPYDOT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-21-12-16(10-19-21)14-22-9-3-4-15(13-22)11-20-26(23,24)18-7-5-17(25-2)6-8-18/h5-8,10,12,15,20H,3-4,9,11,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25304086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).