5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine

C10H16ClN3S — CID 115229873

IUPAC5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
SMILESCN(CN1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClN3S/c1-13(10-3-2-9(11)15-10)8-14-6-4-12-5-7-14/h2-3,12H,4-8H2,1H3
InChIKeyIGGMNFBPXSEUCH-UHFFFAOYSA-N
MW245.78 g/mol
LogP1.70
Rot. Bonds3

About 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine

5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine (PubChem CID 115229873) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
PubChem CID115229873
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
SMILESCN(CN1CCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClN3S/c1-13(10-3-2-9(11)15-10)8-14-6-4-12-5-7-14/h2-3,12H,4-8H2,1H3
InChIKeyIGGMNFBPXSEUCH-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238312
4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229855
3-chloro-4-fluoro-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229905
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661
N,5-dimethyl-N-(piperazin-1-ylmethyl)furan-2-amine
CID 115229932
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine
CID 66202987
5-bromo-2-methoxy-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229876
1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
CID 82294535
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine (CID 115229873) is 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine is CN(CN1CCNCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine?
The InChIKey is IGGMNFBPXSEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-13(10-3-2-9(11)15-10)8-14-6-4-12-5-7-14/h2-3,12H,4-8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine?
5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine has a molecular weight of 245.78 g/mol, XLogP of 1.70, 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-(piperazin-1-ylmethyl)thiophen-2-amine is sourced from PubChem (CID 115229873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).