1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine

C15H24N2O3S — CID 107396221

IUPAC1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(S(=O)(=O)N2CCCC(C)(OC)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-15(20-3)8-5-9-17(12-15)21(18,19)14-7-4-6-13(10-14)11-16-2/h4,6-7,10,16H,5,8-9,11-12H2,1-3H3
InChIKeyXMBYSZQBMSMCRZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.60
Rot. Bonds5

About 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine

1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine (PubChem CID 107396221) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
PubChem CID107396221
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(S(=O)(=O)N2CCCC(C)(OC)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-15(20-3)8-5-9-17(12-15)21(18,19)14-7-4-6-13(10-14)11-16-2/h4,6-7,10,16H,5,8-9,11-12H2,1-3H3
InChIKeyXMBYSZQBMSMCRZ-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylfuran-2-yl]-N-methylmethanamine
CID 107396218
1-[3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 107460054
N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 91364862
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
CID 107394304
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
1-[[3-(chloromethyl)phenyl]methylsulfonyl]-3-methoxy-3-methylpiperidine
CID 107396129
1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107395570
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
N-[[3-(3,3-dimethylpiperidin-1-yl)sulfonylphenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 91425656
1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 107396177
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine
CID 107396205
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 107396073

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine (CID 107396221) is 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine is CNCc1cccc(S(=O)(=O)N2CCCC(C)(OC)C2)c1.
What is the InChIKey of 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The InChIKey is XMBYSZQBMSMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(20-3)8-5-9-17(12-15)21(18,19)14-7-4-6-13(10-14)11-16-2/h4,6-7,10,16H,5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine has a molecular weight of 312.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine is sourced from PubChem (CID 107396221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).