1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine

C25H30N2O4S2 — CID 42319684

IUPAC1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN(C)Cc4cccs4)c3)CC2)cc1
InChIInChI=1S/C25H30N2O4S2/c1-26(19-24-7-4-16-32-24)18-20-5-3-6-23(17-20)31-22-12-14-27(15-13-22)33(28,29)25-10-8-21(30-2)9-11-25/h3-11,16-17,22H,12-15,18-19H2,1-2H3
InChIKeyXRTZHTOWZAFHLH-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.62
Rot. Bonds9

About 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine

1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 42319684) has the molecular formula C25H30N2O4S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID42319684
Molecular FormulaC25H30N2O4S2
Molecular Weight486.66 g/mol
Exact Mass486.16
IUPAC Name1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN(C)Cc4cccs4)c3)CC2)cc1
InChIInChI=1S/C25H30N2O4S2/c1-26(19-24-7-4-16-32-24)18-20-5-3-6-23(17-20)31-22-12-14-27(15-13-22)33(28,29)25-10-8-21(30-2)9-11-25/h3-11,16-17,22H,12-15,18-19H2,1-2H3
InChIKeyXRTZHTOWZAFHLH-UHFFFAOYSA-N
XLogP4.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 26362853
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110420735
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 45208139
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628899

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine (CID 42319684) is 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine is COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN(C)Cc4cccs4)c3)CC2)cc1.
What is the InChIKey of 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is XRTZHTOWZAFHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S2/c1-26(19-24-7-4-16-32-24)18-20-5-3-6-23(17-20)31-22-12-14-27(15-13-22)33(28,29)25-10-8-21(30-2)9-11-25/h3-11,16-17,22H,12-15,18-19H2,1-2H3.
What are the key properties of 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 486.66 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 42319684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).