2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline

C14H22N2O4S — CID 107390440

IUPAC2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
SMILESCOc1cc(S(=O)(=O)N2CCCC(C)(OC)C2)ccc1N
InChIInChI=1S/C14H22N2O4S/c1-14(20-3)7-4-8-16(10-14)21(17,18)11-5-6-12(15)13(9-11)19-2/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyIWZDFDORKGZMKU-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.47
Rot. Bonds4

About 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline

2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 107390440) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID107390440
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
SMILESCOc1cc(S(=O)(=O)N2CCCC(C)(OC)C2)ccc1N
InChIInChI=1S/C14H22N2O4S/c1-14(20-3)7-4-8-16(10-14)21(17,18)11-5-6-12(15)13(9-11)19-2/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyIWZDFDORKGZMKU-UHFFFAOYSA-N
XLogP1.47
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390417
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
CID 107394304
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106667237
1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107396221
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine
CID 107396205
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872336
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 107390951
2-methoxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 81438557
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 107396073

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline (CID 107390440) is 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline is COc1cc(S(=O)(=O)N2CCCC(C)(OC)C2)ccc1N.
What is the InChIKey of 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is IWZDFDORKGZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(20-3)7-4-8-16(10-14)21(17,18)11-5-6-12(15)13(9-11)19-2/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 314.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 107390440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).