1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine

C15H24N2O3S — CID 102704312

IUPAC1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCCC(C)C2)c(OC)c1
InChIInChI=1S/C15H24N2O3S/c1-12-5-4-8-17(11-12)21(18,19)15-7-6-13(10-16-2)9-14(15)20-3/h6-7,9,12,16H,4-5,8,10-11H2,1-3H3
InChIKeyTYMWXXXKQRTIJW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.84
Rot. Bonds5

About 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine

1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine (PubChem CID 102704312) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
PubChem CID102704312
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCCC(C)C2)c(OC)c1
InChIInChI=1S/C15H24N2O3S/c1-12-5-4-8-17(11-12)21(18,19)15-7-6-13(10-16-2)9-14(15)20-3/h6-7,9,12,16H,4-5,8,10-11H2,1-3H3
InChIKeyTYMWXXXKQRTIJW-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
3-methoxy-4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 120875940
[3-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]methanol
CID 102704043
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
N-[[3-fluoro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
CID 79179429
1-[4-(chloromethyl)-2-methoxyphenyl]sulfonylpiperidine
CID 102704166
[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
CID 102703936
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 133200153
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28550070
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872870

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine (CID 102704312) is 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine is CNCc1ccc(S(=O)(=O)N2CCCC(C)C2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The InChIKey is TYMWXXXKQRTIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-5-4-8-17(11-12)21(18,19)15-7-6-13(10-16-2)9-14(15)20-3/h6-7,9,12,16H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine has a molecular weight of 312.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine is sourced from PubChem (CID 102704312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).