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

C15H24Br2N2O2S2 — CID 10767321

IUPAC4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide
SMILESCC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C15H24Br2N2O2S2/c1-11-4-7-19(8-5-11)9-6-12(2)18(3)23(20,21)14-10-13(16)15(17)22-14/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyILUYQSJQCQHIFC-GFCCVEGCSA-N
MW488.31 g/mol
LogP4.40
Rot. Bonds6

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

4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide (PubChem CID 10767321) has the molecular formula C15H24Br2N2O2S2 and a molecular weight of 488.31 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide
PubChem CID10767321
Molecular FormulaC15H24Br2N2O2S2
Molecular Weight488.31 g/mol
Exact Mass485.96
IUPAC Name4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide
SMILESCC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C15H24Br2N2O2S2/c1-11-4-7-19(8-5-11)9-6-12(2)18(3)23(20,21)14-10-13(16)15(17)22-14/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyILUYQSJQCQHIFC-GFCCVEGCSA-N
XLogP4.40
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 ≤ 54.40
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-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide (CID 10767321) is 4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide is CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is ILUYQSJQCQHIFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24Br2N2O2S2/c1-11-4-7-19(8-5-11)9-6-12(2)18(3)23(20,21)14-10-13(16)15(17)22-14/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide?
4,5-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 488.31 g/mol, XLogP of 4.40, 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-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10767321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).