1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine

C14H22N2O3S — CID 120715228

IUPAC1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(COC)cc2)C1
InChIInChI=1S/C14H22N2O3S/c1-15-13-4-3-9-16(10-13)20(17,18)14-7-5-12(6-8-14)11-19-2/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyVLMPSUAXXLAQBD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.21
Rot. Bonds5

About 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine

1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine (PubChem CID 120715228) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
PubChem CID120715228
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(COC)cc2)C1
InChIInChI=1S/C14H22N2O3S/c1-15-13-4-3-9-16(10-13)20(17,18)14-7-5-12(6-8-14)11-19-2/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyVLMPSUAXXLAQBD-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-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
methyl 2-methyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120715034
1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
CID 119489160
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
1-(1,3-benzodioxol-5-ylsulfonyl)-N-methylpiperidin-3-amine
CID 110868407
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine (CID 120715228) is 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(COC)cc2)C1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is VLMPSUAXXLAQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-13-4-3-9-16(10-13)20(17,18)14-7-5-12(6-8-14)11-19-2/h5-8,13,15H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine 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 1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 120715228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).