(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

C11H19N3S — CID 7127651

IUPAC(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
SMILESCN1CCN([C@@H](CN)c2cccs2)CC1
InChIInChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3/t10-/m0/s1
InChIKeyQHKYTFGXTUYNGA-JTQLQIEISA-N
MW225.36 g/mol
LogP1.00
Rot. Bonds3

About (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine (PubChem CID 7127651) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
PubChem CID7127651
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
SMILESCN1CCN([C@@H](CN)c2cccs2)CC1
InChIInChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3/t10-/m0/s1
InChIKeyQHKYTFGXTUYNGA-JTQLQIEISA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-thiophen-2-ylethanamine
CID 114083369
2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine
CID 62935626
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-pyrrol-1-yl-2-thiophen-2-ylethanamine
CID 55262597
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
CID 64574739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine (CID 7127651) is (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine is CN1CCN([C@@H](CN)c2cccs2)CC1.
What is the InChIKey of (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The InChIKey is QHKYTFGXTUYNGA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 7127651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).