5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

C12H17BrN2O3S2 — CID 5056774

IUPAC5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2O3S2/c1-9-4-6-15(7-5-9)11(16)8-14-20(17,18)12-3-2-10(13)19-12/h2-3,9,14H,4-8H2,1H3
InChIKeyICWXSLXOKCISRY-UHFFFAOYSA-N
MW381.32 g/mol
LogP2.05
Rot. Bonds4

About 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 5056774) has the molecular formula C12H17BrN2O3S2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID5056774
Molecular FormulaC12H17BrN2O3S2
Molecular Weight381.32 g/mol
Exact Mass379.99
IUPAC Name5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2O3S2/c1-9-4-6-15(7-5-9)11(16)8-14-20(17,18)12-3-2-10(13)19-12/h2-3,9,14H,4-8H2,1H3
InChIKeyICWXSLXOKCISRY-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051
5-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121440
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 15993267
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazole-6-sulfonamide
CID 3239139
5-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121302
2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
CID 146122653
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 5056774) is 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is CC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is ICWXSLXOKCISRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S2/c1-9-4-6-15(7-5-9)11(16)8-14-20(17,18)12-3-2-10(13)19-12/h2-3,9,14H,4-8H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 381.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5056774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).