1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide

C10H12Br2N2O3S2 — CID 45488382

IUPAC1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C10H12Br2N2O3S2/c11-7-5-8(18-9(7)12)19(16,17)14-3-1-6(2-4-14)10(13)15/h5-6H,1-4H2,(H2,13,15)
InChIKeyCIHJVFHFJZHAQE-UHFFFAOYSA-N
MW432.16 g/mol
LogP2.16
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide

1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 45488382) has the molecular formula C10H12Br2N2O3S2 and a molecular weight of 432.16 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID45488382
Molecular FormulaC10H12Br2N2O3S2
Molecular Weight432.16 g/mol
Exact Mass429.87
IUPAC Name1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C10H12Br2N2O3S2/c11-7-5-8(18-9(7)12)19(16,17)14-3-1-6(2-4-14)10(13)15/h5-6H,1-4H2,(H2,13,15)
InChIKeyCIHJVFHFJZHAQE-UHFFFAOYSA-N
XLogP2.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
CID 4050954
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
CID 4118418
1-[(5-Bromothiophen-2-yl)sulfonyl]-4-(piperidine-1-carbonyl)piperidine
CID 4425630
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide
CID 4093956
1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 3551079
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-cyclohexylpiperidine-4-carboxamide
CID 4059499
4,5-dibromo-N-[3-(4-methylpiperidin-1-yl)propyl]thiophene-2-sulfonamide
CID 4082147
1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 4186124
Azepan-1-yl-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]methanone
CID 4459850
1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-3-carboxamide
CID 4461137
[1-(5-Bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4670477

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 45488382) is 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CIHJVFHFJZHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O3S2/c11-7-5-8(18-9(7)12)19(16,17)14-3-1-6(2-4-14)10(13)15/h5-6H,1-4H2,(H2,13,15).
What are the key properties of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 432.16 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 45488382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).