3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide

C10H14BrNO3S2 — CID 54951868

IUPAC3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-12(8-2-5-15-6-3-8)17(13,14)10-9(11)4-7-16-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyUKLUWFBNAONKOQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.31
Rot. Bonds3

About 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide

3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide (PubChem CID 54951868) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
PubChem CID54951868
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-12(8-2-5-15-6-3-8)17(13,14)10-9(11)4-7-16-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyUKLUWFBNAONKOQ-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
CID 54952440
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 54952444
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
CID 107400610
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
CID 80669651
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
3-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61456255
1-(3-bromothiophen-2-yl)-2-[methyl(oxolan-3-yl)amino]ethanone
CID 82742077

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide (CID 54951868) is 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide is CN(C1CCOCC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The InChIKey is UKLUWFBNAONKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-12(8-2-5-15-6-3-8)17(13,14)10-9(11)4-7-16-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide has a molecular weight of 340.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 54951868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).