[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine

C14H22N2O4S — CID 43605335

IUPAC[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC(CN)CC2)c(OC)c1
InChIInChI=1S/C14H22N2O4S/c1-19-12-3-4-14(13(9-12)20-2)21(17,18)16-7-5-11(10-15)6-8-16/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyYBBZEGCTAYIATP-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.06
Rot. Bonds5

About [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine

[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 43605335) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
PubChem CID43605335
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC(CN)CC2)c(OC)c1
InChIInChI=1S/C14H22N2O4S/c1-19-12-3-4-14(13(9-12)20-2)21(17,18)16-7-5-11(10-15)6-8-16/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyYBBZEGCTAYIATP-UHFFFAOYSA-N
XLogP1.06
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-bromo-5-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963828
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963757
N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002717
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
N-cyclopentyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113003005
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine (CID 43605335) is [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine is COc1ccc(S(=O)(=O)N2CCC(CN)CC2)c(OC)c1.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is YBBZEGCTAYIATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-12-3-4-14(13(9-12)20-2)21(17,18)16-7-5-11(10-15)6-8-16/h3-4,9,11H,5-8,10,15H2,1-2H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 314.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43605335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).