1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine

C11H17BrN2O2S2 — CID 61062865

IUPAC1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H17BrN2O2S2/c1-2-4-13-5-7-14(8-6-13)18(15,16)11-10(12)3-9-17-11/h3,9H,2,4-8H2,1H3
InChIKeyCGXJCVDRXKPXRL-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.23
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine

1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine (PubChem CID 61062865) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine
PubChem CID61062865
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C11H17BrN2O2S2/c1-2-4-13-5-7-14(8-6-13)18(15,16)11-10(12)3-9-17-11/h3,9H,2,4-8H2,1H3
InChIKeyCGXJCVDRXKPXRL-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

1-(3-bromothiophen-2-yl)sulfonyl-4-(2-chloroethyl)piperazine
CID 63397514
1-(3-bromothiophen-2-yl)sulfonylpiperidine
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4-(3-bromothiophen-2-yl)sulfonyl-2-ethyl-1-methylpiperazine
CID 63614932
2-[4-(3-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetic acid
CID 62824660
1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
CID 61074164
1-(3-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
CID 119961497
2-[4-(3-bromothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63340736
8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
CID 63162262
2-[4-(3-bromothiophen-2-yl)sulfonylpiperazin-1-yl]propanethioamide
CID 63342077
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
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CID 103931361

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine (CID 61062865) is 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine?
The InChIKey is CGXJCVDRXKPXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-2-4-13-5-7-14(8-6-13)18(15,16)11-10(12)3-9-17-11/h3,9H,2,4-8H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine?
1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine has a molecular weight of 353.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 61062865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).