1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

C11H15Br2N3O3S2 — CID 80534447

IUPAC1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C11H15Br2N3O3S2/c12-8-4-9(20-10(8)13)11(17)16-3-1-2-7(6-16)5-15-21(14,18)19/h4,7,15H,1-3,5-6H2,(H2,14,18,19)
InChIKeyAQNYFNBMAUILBZ-UHFFFAOYSA-N
MW461.20 g/mol
LogP1.92
Rot. Bonds4

About 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 80534447) has the molecular formula C11H15Br2N3O3S2 and a molecular weight of 461.20 g/mol. Its IUPAC name is 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID80534447
Molecular FormulaC11H15Br2N3O3S2
Molecular Weight461.20 g/mol
Exact Mass458.89
IUPAC Name1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C11H15Br2N3O3S2/c12-8-4-9(20-10(8)13)11(17)16-3-1-2-7(6-16)5-15-21(14,18)19/h4,7,15H,1-3,5-6H2,(H2,14,18,19)
InChIKeyAQNYFNBMAUILBZ-UHFFFAOYSA-N
XLogP1.92
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 64722138
2-[[1-(4,5-dibromothiophene-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813685
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 79461060
[3-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537476
1-(4,5-dibromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 80538896
2-oxo-5-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1H-pyrazine
CID 61130865
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
6-oxo-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazine
CID 60959166
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
(5-bromo-4-methylthiophen-2-yl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 79996780
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
CID 78999103

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 80534447) is 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(C(=O)c2cc(Br)c(Br)s2)C1.
What is the InChIKey of 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is AQNYFNBMAUILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O3S2/c12-8-4-9(20-10(8)13)11(17)16-3-1-2-7(6-16)5-15-21(14,18)19/h4,7,15H,1-3,5-6H2,(H2,14,18,19).
What are the key properties of 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 461.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 80534447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).