N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine

C11H20N4S — CID 83010621

IUPACN-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2cccs2)CC1
InChIInChI=1S/C11H20N4S/c1-14-4-6-15(7-5-14)13-10(9-12)11-3-2-8-16-11/h2-3,8,10,13H,4-7,9,12H2,1H3
InChIKeyBTDPNINIUCPJDH-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.50
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine

N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 83010621) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID83010621
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2cccs2)CC1
InChIInChI=1S/C11H20N4S/c1-14-4-6-15(7-5-14)13-10(9-12)11-3-2-8-16-11/h2-3,8,10,13H,4-7,9,12H2,1H3
InChIKeyBTDPNINIUCPJDH-UHFFFAOYSA-N
XLogP0.50
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
2-(2,2-dimethylhydrazinyl)-2-thiophen-2-ylethanamine
CID 83011900
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
CID 83010794
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011747
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
CID 83011355
1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83012185
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
1-(3-fluoro-4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83010716

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 83010621) is N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine is CN1CCN(NC(CN)c2cccs2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is BTDPNINIUCPJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-14-4-6-15(7-5-14)13-10(9-12)11-3-2-8-16-11/h2-3,8,10,13H,4-7,9,12H2,1H3.
What are the key properties of N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine?
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 240.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 83010621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).