N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide

C14H22N2O3S — CID 99971373

IUPACN-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
SMILESCN1CCC(Oc2ccc(CNS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-16-9-7-14(8-10-16)19-13-5-3-12(4-6-13)11-15-20(2,17)18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyGVLLAIBLECRCDR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.21
Rot. Bonds5

About N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide

N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide (PubChem CID 99971373) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
PubChem CID99971373
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
SMILESCN1CCC(Oc2ccc(CNS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-16-9-7-14(8-10-16)19-13-5-3-12(4-6-13)11-15-20(2,17)18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyGVLLAIBLECRCDR-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971665
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945290
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
(3S)-1-ethylsulfonyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidine-3-carboxamide
CID 95194802
1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110781232
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
CID 122140123
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide
CID 99970865

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide (CID 99971373) is N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide is CN1CCC(Oc2ccc(CNS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
The InChIKey is GVLLAIBLECRCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16-9-7-14(8-10-16)19-13-5-3-12(4-6-13)11-15-20(2,17)18/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide?
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide is sourced from PubChem (CID 99971373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).