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

C15H25N3O2S — CID 79884603

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline
SMILESCCC1CN(S(=O)(=O)c2cc(C)cc(N)c2C)CCN1C
InChIInChI=1S/C15H25N3O2S/c1-5-13-10-18(7-6-17(13)4)21(19,20)15-9-11(2)8-14(16)12(15)3/h8-9,13H,5-7,10,16H2,1-4H3
InChIKeyRNOHMLNZFGMHMS-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.60
Rot. Bonds3

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

3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline (PubChem CID 79884603) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline
PubChem CID79884603
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline
SMILESCCC1CN(S(=O)(=O)c2cc(C)cc(N)c2C)CCN1C
InChIInChI=1S/C15H25N3O2S/c1-5-13-10-18(7-6-17(13)4)21(19,20)15-9-11(2)8-14(16)12(15)3/h8-9,13H,5-7,10,16H2,1-4H3
InChIKeyRNOHMLNZFGMHMS-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.60
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

3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79888899
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604734
2-bromo-5-chloro-3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylaniline
CID 63605231
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065
1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 63605060
4-(3-amino-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 79889502
3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63610212
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 103530363
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
CID 79888974
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline (CID 79884603) is 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline is CCC1CN(S(=O)(=O)c2cc(C)cc(N)c2C)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline?
The InChIKey is RNOHMLNZFGMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-13-10-18(7-6-17(13)4)21(19,20)15-9-11(2)8-14(16)12(15)3/h8-9,13H,5-7,10,16H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline?
3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline has a molecular weight of 311.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline is sourced from PubChem (CID 79884603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).