2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C11H19BrN2O3S2 — CID 106050876

IUPAC2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)COC)c(Br)s1
InChIInChI=1S/C11H19BrN2O3S2/c1-8(7-17-3)5-14-19(15,16)10-4-9(6-13-2)18-11(10)12/h4,8,13-14H,5-7H2,1-3H3
InChIKeyQFKHVVGRMHFNPY-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.79
Rot. Bonds8

About 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106050876) has the molecular formula C11H19BrN2O3S2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106050876
Molecular FormulaC11H19BrN2O3S2
Molecular Weight371.32 g/mol
Exact Mass370.00
IUPAC Name2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)COC)c(Br)s1
InChIInChI=1S/C11H19BrN2O3S2/c1-8(7-17-3)5-14-19(15,16)10-4-9(6-13-2)18-11(10)12/h4,8,13-14H,5-7H2,1-3H3
InChIKeyQFKHVVGRMHFNPY-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828
2-bromo-N-(4-methoxybutyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053935
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018991
methyl 5-bromo-4-[(3-hydroxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 65034395
5-bromo-2-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429872
2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106058681
2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
CID 114134489
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106050876) is 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC(C)COC)c(Br)s1.
What is the InChIKey of 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is QFKHVVGRMHFNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O3S2/c1-8(7-17-3)5-14-19(15,16)10-4-9(6-13-2)18-11(10)12/h4,8,13-14H,5-7H2,1-3H3.
What are the key properties of 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 371.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106050876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).