1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine

C12H19ClN2O2S2 — CID 78792923

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-19(16,17)9-8-14-4-6-15(7-5-14)10-11-2-3-12(13)18-11/h2-3H,4-10H2,1H3
InChIKeyGOUDCQMKDABGHS-UHFFFAOYSA-N
MW322.88 g/mol
LogP1.56
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine

1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine (PubChem CID 78792923) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
PubChem CID78792923
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-19(16,17)9-8-14-4-6-15(7-5-14)10-11-2-3-12(13)18-11/h2-3H,4-10H2,1H3
InChIKeyGOUDCQMKDABGHS-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanesulfonate
CID 39747300
methyl 3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanoate
CID 113219646
1-(2-chloroethyl)-4-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane
CID 63388084
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
CID 9301421
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 51241085
2-bromo-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 62854509
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
(2R)-2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79013048

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine (CID 78792923) is 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is GOUDCQMKDABGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-19(16,17)9-8-14-4-6-15(7-5-14)10-11-2-3-12(13)18-11/h2-3H,4-10H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine?
1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 322.88 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 78792923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).