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

C14H22N2O4S — CID 107390417

IUPAC3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C14H22N2O4S/c1-14(20-3)7-4-8-16(10-14)21(17,18)13-6-5-11(15)9-12(13)19-2/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyVCSLQHOJZVCOIF-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.47
Rot. Bonds4

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

3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 107390417) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID107390417
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C14H22N2O4S/c1-14(20-3)7-4-8-16(10-14)21(17,18)13-6-5-11(15)9-12(13)19-2/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyVCSLQHOJZVCOIF-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

2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
CID 107393856
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 107390980
4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one
CID 43257198
3-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile
CID 107392659
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
4-(4-amino-2-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63596125
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-3-methoxy-3-methylpiperidine
CID 107396132
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 107390938
1-[5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylfuran-2-yl]-N-methylmethanamine
CID 107396218
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
CID 107394304

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline (CID 107390417) is 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline is COc1cc(N)ccc1S(=O)(=O)N1CCCC(C)(OC)C1.
What is the InChIKey of 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is VCSLQHOJZVCOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(20-3)7-4-8-16(10-14)21(17,18)13-6-5-11(15)9-12(13)19-2/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline?
3-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 3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 107390417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).