1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine

C11H16Br2N2O2S2 — CID 4076966

IUPAC1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C11H16Br2N2O2S2/c1-2-3-14-4-6-15(7-5-14)19(16,17)10-8-9(12)11(13)18-10/h8H,2-7H2,1H3
InChIKeyZEMJXTLRZIMGJM-UHFFFAOYSA-N
MW432.20 g/mol
LogP2.99
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine

1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine (PubChem CID 4076966) has the molecular formula C11H16Br2N2O2S2 and a molecular weight of 432.20 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine
PubChem CID4076966
Molecular FormulaC11H16Br2N2O2S2
Molecular Weight432.20 g/mol
Exact Mass429.90
IUPAC Name1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C11H16Br2N2O2S2/c1-2-3-14-4-6-15(7-5-14)19(16,17)10-8-9(12)11(13)18-10/h8H,2-7H2,1H3
InChIKeyZEMJXTLRZIMGJM-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine (CID 4076966) is 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine?
The InChIKey is ZEMJXTLRZIMGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S2/c1-2-3-14-4-6-15(7-5-14)19(16,17)10-8-9(12)11(13)18-10/h8H,2-7H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine?
1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine has a molecular weight of 432.20 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 4076966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).