5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride

C11H18BrClN2O2S2 — CID 71642494

IUPAC5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-14(8-9-4-6-13-7-5-9)18(15,16)11-3-2-10(12)17-11;/h2-3,9,13H,4-8H2,1H3;1H
InChIKeyXGDGTWCVHWWIDW-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.55
Rot. Bonds4

About 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride

5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 71642494) has the molecular formula C11H18BrClN2O2S2 and a molecular weight of 389.77 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID71642494
Molecular FormulaC11H18BrClN2O2S2
Molecular Weight389.77 g/mol
Exact Mass387.97
IUPAC Name5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-14(8-9-4-6-13-7-5-9)18(15,16)11-3-2-10(12)17-11;/h2-3,9,13H,4-8H2,1H3;1H
InChIKeyXGDGTWCVHWWIDW-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride (CID 71642494) is 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride is CN(CC1CCNCC1)S(=O)(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is XGDGTWCVHWWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2.ClH/c1-14(8-9-4-6-13-7-5-9)18(15,16)11-3-2-10(12)17-11;/h2-3,9,13H,4-8H2,1H3;1H.
What are the key properties of 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 71642494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).