4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide

C15H24Br2N2O2S2 — CID 54355423

IUPAC4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide
SMILESCC(CCN1CCCC[C@H]1C)N(C)S(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H24Br2N2O2S2/c1-11(7-9-19-8-5-4-6-12(19)2)18(3)23(20,21)14-10-13(16)15(17)22-14/h10-12H,4-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyUITVUTDAKWWLPE-PIJUOVFKSA-N
MW488.31 g/mol
LogP4.55
Rot. Bonds6

About 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide

4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide (PubChem CID 54355423) has the molecular formula C15H24Br2N2O2S2 and a molecular weight of 488.31 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide
PubChem CID54355423
Molecular FormulaC15H24Br2N2O2S2
Molecular Weight488.31 g/mol
Exact Mass485.96
IUPAC Name4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide
SMILESCC(CCN1CCCC[C@H]1C)N(C)S(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H24Br2N2O2S2/c1-11(7-9-19-8-5-4-6-12(19)2)18(3)23(20,21)14-10-13(16)15(17)22-14/h10-12H,4-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyUITVUTDAKWWLPE-PIJUOVFKSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.31
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide (CID 54355423) is 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide is CC(CCN1CCCC[C@H]1C)N(C)S(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is UITVUTDAKWWLPE-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H24Br2N2O2S2/c1-11(7-9-19-8-5-4-6-12(19)2)18(3)23(20,21)14-10-13(16)15(17)22-14/h10-12H,4-9H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide?
4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 488.31 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 54355423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).