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

C15H25N3O2S — CID 43506710

IUPACN-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
SMILESCCNC(C)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-4-16-13(2)14-6-5-7-15(12-14)21(19,20)18-10-8-17(3)9-11-18/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyYQTLTDNJBWTBEW-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.29
Rot. Bonds5

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

N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 43506710) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
PubChem CID43506710
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
SMILESCCNC(C)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-4-16-13(2)14-6-5-7-15(12-14)21(19,20)18-10-8-17(3)9-11-18/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyYQTLTDNJBWTBEW-UHFFFAOYSA-N
XLogP1.29
TPSA52.65 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
N-[1-(4-ethylphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133235280
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine
CID 43506983
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 138531816
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
1-methyl-4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 55621350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine (CID 43506710) is N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine is CCNC(C)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is YQTLTDNJBWTBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-16-13(2)14-6-5-7-15(12-14)21(19,20)18-10-8-17(3)9-11-18/h5-7,12-13,16H,4,8-11H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine?
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 43506710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).