2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline

C15H24N2O3S — CID 103171907

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
SMILESCOC1CN(S(=O)(=O)c2c(C)ccc(C)c2N)CCC1C
InChIInChI=1S/C15H24N2O3S/c1-10-7-8-17(9-13(10)20-4)21(18,19)15-12(3)6-5-11(2)14(15)16/h5-6,10,13H,7-9,16H2,1-4H3
InChIKeyXUTSAZGTRAPVKH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline

2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline (PubChem CID 103171907) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
PubChem CID103171907
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
SMILESCOC1CN(S(=O)(=O)c2c(C)ccc(C)c2N)CCC1C
InChIInChI=1S/C15H24N2O3S/c1-10-7-8-17(9-13(10)20-4)21(18,19)15-12(3)6-5-11(2)14(15)16/h5-6,10,13H,7-9,16H2,1-4H3
InChIKeyXUTSAZGTRAPVKH-UHFFFAOYSA-N
XLogP1.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 102955246
3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
CID 103171753
3-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102956770
1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 103171174
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
CID 102955222
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 102675606
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102675663
[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103302177
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
CID 102964517
5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-nitrothiophen-2-amine
CID 102964500

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline (CID 103171907) is 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline is COC1CN(S(=O)(=O)c2c(C)ccc(C)c2N)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline?
The InChIKey is XUTSAZGTRAPVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-7-8-17(9-13(10)20-4)21(18,19)15-12(3)6-5-11(2)14(15)16/h5-6,10,13H,7-9,16H2,1-4H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline?
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline has a molecular weight of 312.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline is sourced from PubChem (CID 103171907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).