2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine

C15H25N3O2S — CID 63621930

IUPAC2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
SMILESCCC1CN(S(=O)(=O)c2ccc(CCN)cc2)CCN1C
InChIInChI=1S/C15H25N3O2S/c1-3-14-12-18(11-10-17(14)2)21(19,20)15-6-4-13(5-7-15)8-9-16/h4-7,14H,3,8-12,16H2,1-2H3
InChIKeyWVLXCZCLZCALIV-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.90
Rot. Bonds5

About 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine

2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 63621930) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
PubChem CID63621930
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
SMILESCCC1CN(S(=O)(=O)c2ccc(CCN)cc2)CCN1C
InChIInChI=1S/C15H25N3O2S/c1-3-14-12-18(11-10-17(14)2)21(19,20)15-6-4-13(5-7-15)8-9-16/h4-7,14H,3,8-12,16H2,1-2H3
InChIKeyWVLXCZCLZCALIV-UHFFFAOYSA-N
XLogP0.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 63611082
1-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanol
CID 63615234
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
CID 53229799
[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 63621762
1-[3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620570
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065
2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 63603160
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64600354
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine
CID 63614932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine (CID 63621930) is 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine is CCC1CN(S(=O)(=O)c2ccc(CCN)cc2)CCN1C.
What is the InChIKey of 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is WVLXCZCLZCALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-14-12-18(11-10-17(14)2)21(19,20)15-6-4-13(5-7-15)8-9-16/h4-7,14H,3,8-12,16H2,1-2H3.
What are the key properties of 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 311.45 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 63621930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).