4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine

C11H17BrN2O2S2 — CID 63614932

IUPAC4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine
SMILESCCC1CN(S(=O)(=O)c2sccc2Br)CCN1C
InChIInChI=1S/C11H17BrN2O2S2/c1-3-9-8-14(6-5-13(9)2)18(15,16)11-10(12)4-7-17-11/h4,7,9H,3,5-6,8H2,1-2H3
InChIKeyBBHLRJWANAKSFS-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.23
Rot. Bonds3

About 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine

4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine (PubChem CID 63614932) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine
PubChem CID63614932
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine
SMILESCCC1CN(S(=O)(=O)c2sccc2Br)CCN1C
InChIInChI=1S/C11H17BrN2O2S2/c1-3-9-8-14(6-5-13(9)2)18(15,16)11-10(12)4-7-17-11/h4,7,9H,3,5-6,8H2,1-2H3
InChIKeyBBHLRJWANAKSFS-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine?
The IUPAC name of 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine (CID 63614932) is 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine is CCC1CN(S(=O)(=O)c2sccc2Br)CCN1C.
What is the InChIKey of 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine?
The InChIKey is BBHLRJWANAKSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-3-9-8-14(6-5-13(9)2)18(15,16)11-10(12)4-7-17-11/h4,7,9H,3,5-6,8H2,1-2H3.
What are the key properties of 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine?
4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine has a molecular weight of 353.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine is sourced from PubChem (CID 63614932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).