N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine

C12H21N3S — CID 116954947

IUPACN-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
SMILESCNC(CCN1CCNCC1)c1cccs1
InChIInChI=1S/C12H21N3S/c1-13-11(12-3-2-10-16-12)4-7-15-8-5-14-6-9-15/h2-3,10-11,13-14H,4-9H2,1H3
InChIKeySKJIWDHEBLQSNJ-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine

N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine (PubChem CID 116954947) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
PubChem CID116954947
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
SMILESCNC(CCN1CCNCC1)c1cccs1
InChIInChI=1S/C12H21N3S/c1-13-11(12-3-2-10-16-12)4-7-15-8-5-14-6-9-15/h2-3,10-11,13-14H,4-9H2,1H3
InChIKeySKJIWDHEBLQSNJ-UHFFFAOYSA-N
XLogP1.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine
CID 116960914
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
N-methyl-2-piperidin-4-yl-1-thiophen-2-ylethanamine
CID 116951783
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 63265653
1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954962
1-(thiophen-2-ylmethyl)piperazine
CID 566208
2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 62832743
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116957135

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine (CID 116954947) is N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine is CNC(CCN1CCNCC1)c1cccs1.
What is the InChIKey of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is SKJIWDHEBLQSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-13-11(12-3-2-10-16-12)4-7-15-8-5-14-6-9-15/h2-3,10-11,13-14H,4-9H2,1H3.
What are the key properties of N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine?
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 116954947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).