1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

C14H22N2O3S — CID 120779698

IUPAC1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C14H22N2O3S/c1-14(2)10-16(9-8-13(14)15)20(17,18)12-7-5-4-6-11(12)19-3/h4-7,13H,8-10,15H2,1-3H3
InChIKeyUCPFHSCRZMGHFJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds3

About 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 120779698) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID120779698
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C14H22N2O3S/c1-14(2)10-16(9-8-13(14)15)20(17,18)12-7-5-4-6-11(12)19-3/h4-7,13H,8-10,15H2,1-3H3
InChIKeyUCPFHSCRZMGHFJ-UHFFFAOYSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779398
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-4-fluorobenzoate
CID 120779192
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779271
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-fluorobenzoate
CID 120778974
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (CID 120779698) is 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is COc1ccccc1S(=O)(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is UCPFHSCRZMGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2)10-16(9-8-13(14)15)20(17,18)12-7-5-4-6-11(12)19-3/h4-7,13H,8-10,15H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 298.41 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120779698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).