2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline

C14H23N3O3S — CID 63604734

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
SMILESCCC1CN(S(=O)(=O)c2ccc(OC)cc2N)CCN1C
InChIInChI=1S/C14H23N3O3S/c1-4-11-10-17(8-7-16(11)2)21(18,19)14-6-5-12(20-3)9-13(14)15/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeyHRVAWOXBZLKEPL-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.99
Rot. Bonds4

About 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline

2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline (PubChem CID 63604734) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
PubChem CID63604734
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
SMILESCCC1CN(S(=O)(=O)c2ccc(OC)cc2N)CCN1C
InChIInChI=1S/C14H23N3O3S/c1-4-11-10-17(8-7-16(11)2)21(18,19)14-6-5-12(20-3)9-13(14)15/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeyHRVAWOXBZLKEPL-UHFFFAOYSA-N
XLogP0.99
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.99
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-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604557
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79884603
2-bromo-5-chloro-3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylaniline
CID 63605231
5-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392074
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 63605060
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096099

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline (CID 63604734) is 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline is CCC1CN(S(=O)(=O)c2ccc(OC)cc2N)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline?
The InChIKey is HRVAWOXBZLKEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-11-10-17(8-7-16(11)2)21(18,19)14-6-5-12(20-3)9-13(14)15/h5-6,9,11H,4,7-8,10,15H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline?
2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline has a molecular weight of 313.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline is sourced from PubChem (CID 63604734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).