2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine

C10H15ClN2S2 — CID 117034439

IUPAC2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
SMILESCN1CCNCC1CSc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2S2/c1-13-5-4-12-6-8(13)7-14-10-3-2-9(11)15-10/h2-3,8,12H,4-7H2,1H3
InChIKeyJFABQJREMOIRLD-UHFFFAOYSA-N
MW262.83 g/mol
LogP2.40
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine

2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine (PubChem CID 117034439) has the molecular formula C10H15ClN2S2 and a molecular weight of 262.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
PubChem CID117034439
Molecular FormulaC10H15ClN2S2
Molecular Weight262.83 g/mol
Exact Mass262.04
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
SMILESCN1CCNCC1CSc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2S2/c1-13-5-4-12-6-8(13)7-14-10-3-2-9(11)15-10/h2-3,8,12H,4-7H2,1H3
InChIKeyJFABQJREMOIRLD-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.83
LogP ≤ 52.40
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
3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
CID 117033083
1-methyl-2-[(4-propan-2-ylphenyl)sulfanylmethyl]piperazine
CID 117034430
1-methyl-2-[(4-methylphenyl)sulfanylmethyl]piperazine
CID 117034421
2-chloro-5-ethylsulfanylthiophene
CID 55269590
7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
CID 130117727
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238305
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
N-[(4-chlorophenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
CID 115239608
(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 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine (CID 117034439) is 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine is CN1CCNCC1CSc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine?
The InChIKey is JFABQJREMOIRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S2/c1-13-5-4-12-6-8(13)7-14-10-3-2-9(11)15-10/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine?
2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine has a molecular weight of 262.83 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine is sourced from PubChem (CID 117034439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).