(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine

C16H20ClN3S — CID 9161313

IUPAC(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
SMILESNC[C@@H](c1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3S/c17-13-3-1-4-14(11-13)19-6-8-20(9-7-19)15(12-18)16-5-2-10-21-16/h1-5,10-11,15H,6-9,12,18H2/t15-/m0/s1
InChIKeyOFWIQSRTMXPPEZ-HNNXBMFYSA-N
MW321.88 g/mol
LogP3.22
Rot. Bonds4

About (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine

(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine (PubChem CID 9161313) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
PubChem CID9161313
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
SMILESNC[C@@H](c1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3S/c17-13-3-1-4-14(11-13)19-6-8-20(9-7-19)15(12-18)16-5-2-10-21-16/h1-5,10-11,15H,6-9,12,18H2/t15-/m0/s1
InChIKeyOFWIQSRTMXPPEZ-HNNXBMFYSA-N
XLogP3.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161262
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161266
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
CID 64574739
1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine (CID 9161313) is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine is NC[C@@H](c1cccs1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
The InChIKey is OFWIQSRTMXPPEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c17-13-3-1-4-14(11-13)19-6-8-20(9-7-19)15(12-18)16-5-2-10-21-16/h1-5,10-11,15H,6-9,12,18H2/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine has a molecular weight of 321.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 9161313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).