5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide

C9H12BrNO2S2 — CID 115690365

IUPAC5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C9H12BrNO2S2/c1-6-7(5-8(10)14-6)15(12,13)11-9(2)3-4-9/h5,11H,3-4H2,1-2H3
InChIKeyWVIVKVHMPZWSTA-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.65
Rot. Bonds3

About 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide (PubChem CID 115690365) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
PubChem CID115690365
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C9H12BrNO2S2/c1-6-7(5-8(10)14-6)15(12,13)11-9(2)3-4-9/h5,11H,3-4H2,1-2H3
InChIKeyWVIVKVHMPZWSTA-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 107165046
5-bromo-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 113295045
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 114380220
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119981138
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide (CID 115690365) is 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NC1(C)CC1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide?
The InChIKey is WVIVKVHMPZWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-6-7(5-8(10)14-6)15(12,13)11-9(2)3-4-9/h5,11H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 115690365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).