3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine

C11H19N3S — CID 115238602

IUPAC3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine
SMILESCc1ccsc1NCC1CN(C)CCN1
InChIInChI=1S/C11H19N3S/c1-9-3-6-15-11(9)13-7-10-8-14(2)5-4-12-10/h3,6,10,12-13H,4-5,7-8H2,1-2H3
InChIKeyUVEFGODYEVQWCW-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.37
Rot. Bonds3

About 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine

3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine (PubChem CID 115238602) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine
PubChem CID115238602
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine
SMILESCc1ccsc1NCC1CN(C)CCN1
InChIInChI=1S/C11H19N3S/c1-9-3-6-15-11(9)13-7-10-8-14(2)5-4-12-10/h3,6,10,12-13H,4-5,7-8H2,1-2H3
InChIKeyUVEFGODYEVQWCW-UHFFFAOYSA-N
XLogP1.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238533
N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 115238597
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115238582
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 116911032
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The IUPAC name of 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine (CID 115238602) is 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine.
What is the SMILES notation for 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The canonical SMILES for 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine is Cc1ccsc1NCC1CN(C)CCN1.
What is the InChIKey of 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The InChIKey is UVEFGODYEVQWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-3-6-15-11(9)13-7-10-8-14(2)5-4-12-10/h3,6,10,12-13H,4-5,7-8H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine?
3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine is sourced from PubChem (CID 115238602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).