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

C12H19BrN2O2S2 — CID 55175394

IUPAC5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H19BrN2O2S2/c1-14-7-5-10(6-8-14)9-15(2)19(16,17)12-4-3-11(13)18-12/h3-4,10H,5-9H2,1-2H3
InChIKeyNOUWEQBEYIRDMN-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.47
Rot. Bonds4

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

5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 55175394) has the molecular formula C12H19BrN2O2S2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID55175394
Molecular FormulaC12H19BrN2O2S2
Molecular Weight367.33 g/mol
Exact Mass366.01
IUPAC Name5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H19BrN2O2S2/c1-14-7-5-10(6-8-14)9-15(2)19(16,17)12-4-3-11(13)18-12/h3-4,10H,5-9H2,1-2H3
InChIKeyNOUWEQBEYIRDMN-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (CID 55175394) is 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is CN1CCC(CN(C)S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is NOUWEQBEYIRDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S2/c1-14-7-5-10(6-8-14)9-15(2)19(16,17)12-4-3-11(13)18-12/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 367.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55175394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).