1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

C14H24ClN3S — CID 115415518

IUPAC1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1ccc(Cl)s1
InChIInChI=1S/C14H24ClN3S/c1-4-16-12(13-5-6-14(15)19-13)9-11-10-17(2)7-8-18(11)3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyCUQFEJHSFLSBDL-UHFFFAOYSA-N
MW301.89 g/mol
LogP2.69
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (PubChem CID 115415518) has the molecular formula C14H24ClN3S and a molecular weight of 301.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
PubChem CID115415518
Molecular FormulaC14H24ClN3S
Molecular Weight301.89 g/mol
Exact Mass301.14
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1ccc(Cl)s1
InChIInChI=1S/C14H24ClN3S/c1-4-16-12(13-5-6-14(15)19-13)9-11-10-17(2)7-8-18(11)3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyCUQFEJHSFLSBDL-UHFFFAOYSA-N
XLogP2.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115415525
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473
N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 106654179
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
[2-(1,4-dimethylpiperazin-2-yl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105260295

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (CID 115415518) is 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is CCNC(CC1CN(C)CCN1C)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The InChIKey is CUQFEJHSFLSBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3S/c1-4-16-12(13-5-6-14(15)19-13)9-11-10-17(2)7-8-18(11)3/h5-6,11-12,16H,4,7-10H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine has a molecular weight of 301.89 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115415518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).