1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

C16H26N2O3S — CID 119978472

IUPAC1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-9-15(21-4)10-13(2)16(12)22(19,20)18-7-5-14(6-8-18)11-17-3/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyLUFSVGOGJFTWGE-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.93
Rot. Bonds5

About 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 119978472) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID119978472
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12-9-15(21-4)10-13(2)16(12)22(19,20)18-7-5-14(6-8-18)11-17-3/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyLUFSVGOGJFTWGE-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708727
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708600
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
1-[1-(4,5-dimethylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 86784611
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
methyl 4-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 120874977

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (CID 119978472) is 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1.
What is the InChIKey of 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is LUFSVGOGJFTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-9-15(21-4)10-13(2)16(12)22(19,20)18-7-5-14(6-8-18)11-17-3/h9-10,14,17H,5-8,11H2,1-4H3.
What are the key properties of 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 326.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119978472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).