1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine

C12H19BrN2O4S3 — CID 17264581

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H19BrN2O4S3/c1-2-3-10-21(16,17)14-6-8-15(9-7-14)22(18,19)12-5-4-11(13)20-12/h4-5H,2-3,6-10H2,1H3
InChIKeyOBDSRTDOHFYYCM-UHFFFAOYSA-N
MW431.40 g/mol
LogP1.95
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine (PubChem CID 17264581) has the molecular formula C12H19BrN2O4S3 and a molecular weight of 431.40 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine
PubChem CID17264581
Molecular FormulaC12H19BrN2O4S3
Molecular Weight431.40 g/mol
Exact Mass429.97
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H19BrN2O4S3/c1-2-3-10-21(16,17)14-6-8-15(9-7-14)22(18,19)12-5-4-11(13)20-12/h4-5H,2-3,6-10H2,1H3
InChIKeyOBDSRTDOHFYYCM-UHFFFAOYSA-N
XLogP1.95
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6464966
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-butylsulfanylpropan-1-one
CID 60546194
1-(5-bromothiophen-2-yl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684961
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908
1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 19684967
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine (CID 17264581) is 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine is CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine?
The InChIKey is OBDSRTDOHFYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O4S3/c1-2-3-10-21(16,17)14-6-8-15(9-7-14)22(18,19)12-5-4-11(13)20-12/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine has a molecular weight of 431.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine is sourced from PubChem (CID 17264581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).