1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

C13H22ClN3S — CID 114082694

IUPAC1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCC(NCCN1CCN(C)CC1)c1csc(Cl)c1
InChIInChI=1S/C13H22ClN3S/c1-11(12-9-13(14)18-10-12)15-3-4-17-7-5-16(2)6-8-17/h9-11,15H,3-8H2,1-2H3
InChIKeyJJPPATQWSKVAPK-UHFFFAOYSA-N
MW287.86 g/mol
LogP2.30
Rot. Bonds5

About 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (PubChem CID 114082694) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
PubChem CID114082694
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC Name1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCC(NCCN1CCN(C)CC1)c1csc(Cl)c1
InChIInChI=1S/C13H22ClN3S/c1-11(12-9-13(14)18-10-12)15-3-4-17-7-5-16(2)6-8-17/h9-11,15H,3-8H2,1-2H3
InChIKeyJJPPATQWSKVAPK-UHFFFAOYSA-N
XLogP2.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
CID 82891931
1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 102976447
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
CID 102976419
1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102976720
1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861135
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102976967
1-(5-chlorothiophen-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 102976400
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694801

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (CID 114082694) is 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is CC(NCCN1CCN(C)CC1)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The InChIKey is JJPPATQWSKVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3S/c1-11(12-9-13(14)18-10-12)15-3-4-17-7-5-16(2)6-8-17/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine has a molecular weight of 287.86 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 114082694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).