N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine

C11H19N3S — CID 115238305

IUPACN-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
SMILESCN(CC1CNCCN1C)c1cccs1
InChIInChI=1S/C11H19N3S/c1-13-6-5-12-8-10(13)9-14(2)11-4-3-7-15-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyBJGOLBXHXKBLRL-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.09
Rot. Bonds3

About N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine

N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine (PubChem CID 115238305) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
PubChem CID115238305
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
SMILESCN(CC1CNCCN1C)c1cccs1
InChIInChI=1S/C11H19N3S/c1-13-6-5-12-8-10(13)9-14(2)11-4-3-7-15-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyBJGOLBXHXKBLRL-UHFFFAOYSA-N
XLogP1.09
TPSA18.51 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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238312
4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
CID 115238316
N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238410
N-methyl-N-thiophen-2-ylpyrrolidin-3-amine
CID 115118676
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238418
N-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
2-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238495
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238409
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine (CID 115238305) is N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine is CN(CC1CNCCN1C)c1cccs1.
What is the InChIKey of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The InChIKey is BJGOLBXHXKBLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-13-6-5-12-8-10(13)9-14(2)11-4-3-7-15-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine is sourced from PubChem (CID 115238305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).