5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide

C16H24BrN3O3S2 — CID 3237741

IUPAC5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H24BrN3O3S2/c17-14-4-5-16(24-14)25(22,23)18-12-15(21)20-10-6-13(7-11-20)19-8-2-1-3-9-19/h4-5,13,18H,1-3,6-12H2
InChIKeyLDOQBONBCCLHFH-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.27
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 3237741) has the molecular formula C16H24BrN3O3S2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID3237741
Molecular FormulaC16H24BrN3O3S2
Molecular Weight450.42 g/mol
Exact Mass449.04
IUPAC Name5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H24BrN3O3S2/c17-14-4-5-16(24-14)25(22,23)18-12-15(21)20-10-6-13(7-11-20)19-8-2-1-3-9-19/h4-5,13,18H,1-3,6-12H2
InChIKeyLDOQBONBCCLHFH-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide (CID 3237741) is 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is LDOQBONBCCLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O3S2/c17-14-4-5-16(24-14)25(22,23)18-12-15(21)20-10-6-13(7-11-20)19-8-2-1-3-9-19/h4-5,13,18H,1-3,6-12H2.
What are the key properties of 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 450.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3237741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).