N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide

C11H16BrN3O3S2 — CID 119376871

IUPACN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
SMILESNC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H16BrN3O3S2/c12-9-1-2-11(19-9)20(17,18)14-7-10(16)15-5-3-8(13)4-6-15/h1-2,8,14H,3-7,13H2
InChIKeyATEGWAIPRAJFFM-UHFFFAOYSA-N
MW382.31 g/mol
LogP0.74
Rot. Bonds4

About N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide (PubChem CID 119376871) has the molecular formula C11H16BrN3O3S2 and a molecular weight of 382.31 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
PubChem CID119376871
Molecular FormulaC11H16BrN3O3S2
Molecular Weight382.31 g/mol
Exact Mass380.98
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
SMILESNC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H16BrN3O3S2/c12-9-1-2-11(19-9)20(17,18)14-7-10(16)15-5-3-8(13)4-6-15/h1-2,8,14H,3-7,13H2
InChIKeyATEGWAIPRAJFFM-UHFFFAOYSA-N
XLogP0.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide (CID 119376871) is N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide is NC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide?
The InChIKey is ATEGWAIPRAJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S2/c12-9-1-2-11(19-9)20(17,18)14-7-10(16)15-5-3-8(13)4-6-15/h1-2,8,14H,3-7,13H2.
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide?
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide has a molecular weight of 382.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 119376871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).