N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide

C11H14Br2N2O3S2 — CID 112723098

IUPACN-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C11H14Br2N2O3S2/c1-20(17,18)14-7-2-4-15(5-3-7)11(16)9-6-8(12)10(13)19-9/h6-7,14H,2-5H2,1H3
InChIKeyGSUWOBYXVWHBNK-UHFFFAOYSA-N
MW446.19 g/mol
LogP2.43
Rot. Bonds3

About N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 112723098) has the molecular formula C11H14Br2N2O3S2 and a molecular weight of 446.19 g/mol. Its IUPAC name is N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID112723098
Molecular FormulaC11H14Br2N2O3S2
Molecular Weight446.19 g/mol
Exact Mass443.88
IUPAC NameN-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C11H14Br2N2O3S2/c1-20(17,18)14-7-2-4-15(5-3-7)11(16)9-6-8(12)10(13)19-9/h6-7,14H,2-5H2,1H3
InChIKeyGSUWOBYXVWHBNK-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
CID 47131293
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
(4,5-dibromothiophen-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552409
(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79036661
[4-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537973
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031
(4,5-dibromothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678693
(4,5-dibromothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900858
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
[4-(2-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537560
N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 45223177

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide (CID 112723098) is N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is GSUWOBYXVWHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S2/c1-20(17,18)14-7-2-4-15(5-3-7)11(16)9-6-8(12)10(13)19-9/h6-7,14H,2-5H2,1H3.
What are the key properties of N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 446.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 112723098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).