5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide

C11H16BrNO2S2 — CID 115690369

IUPAC5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCCCC1CC1
InChIInChI=1S/C11H16BrNO2S2/c1-8-10(7-11(12)16-8)17(14,15)13-6-2-3-9-4-5-9/h7,9,13H,2-6H2,1H3
InChIKeyRJDBUVMJHOVWOL-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.29
Rot. Bonds6

About 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide (PubChem CID 115690369) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
PubChem CID115690369
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCCCC1CC1
InChIInChI=1S/C11H16BrNO2S2/c1-8-10(7-11(12)16-8)17(14,15)13-6-2-3-9-4-5-9/h7,9,13H,2-6H2,1H3
InChIKeyRJDBUVMJHOVWOL-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
CID 103748795
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
CID 114137199
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide (CID 115690369) is 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCCCC1CC1.
What is the InChIKey of 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is RJDBUVMJHOVWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-8-10(7-11(12)16-8)17(14,15)13-6-2-3-9-4-5-9/h7,9,13H,2-6H2,1H3.
What are the key properties of 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115690369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).