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

C11H18ClN3S — CID 115238312

IUPAC5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
SMILESCN(CC1CNCCN1C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3S/c1-14-6-5-13-7-9(14)8-15(2)11-4-3-10(12)16-11/h3-4,9,13H,5-8H2,1-2H3
InChIKeyOOTIOSFDYCXXFH-UHFFFAOYSA-N
MW259.81 g/mol
LogP1.74
Rot. Bonds3

About 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine

5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine (PubChem CID 115238312) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
PubChem CID115238312
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
SMILESCN(CC1CNCCN1C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3S/c1-14-6-5-13-7-9(14)8-15(2)11-4-3-10(12)16-11/h3-4,9,13H,5-8H2,1-2H3
InChIKeyOOTIOSFDYCXXFH-UHFFFAOYSA-N
XLogP1.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238305
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661
2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
CID 117034439
5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
CID 115229873
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-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238409
N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
CID 115118693
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238418
N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine
CID 117040547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine (CID 115238312) is 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine is CN(CC1CNCCN1C)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
The InChIKey is OOTIOSFDYCXXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-14-6-5-13-7-9(14)8-15(2)11-4-3-10(12)16-11/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine?
5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine has a molecular weight of 259.81 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine is sourced from PubChem (CID 115238312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).