N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide

C10H17BrN2O2S2 — CID 84591422

IUPACN-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-3-10(12,4-2)7-13-17(14,15)9-8(11)5-6-16-9/h5-6,13H,3-4,7,12H2,1-2H3
InChIKeySZPFPNLWJAQPOH-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.31
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide

N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide (PubChem CID 84591422) has the molecular formula C10H17BrN2O2S2 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
PubChem CID84591422
Molecular FormulaC10H17BrN2O2S2
Molecular Weight341.30 g/mol
Exact Mass339.99
IUPAC NameN-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-3-10(12,4-2)7-13-17(14,15)9-8(11)5-6-16-9/h5-6,13H,3-4,7,12H2,1-2H3
InChIKeySZPFPNLWJAQPOH-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 114164898
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide
CID 61072491
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
N-[(3-amino-2-methylphenyl)methyl]-3-bromothiophene-2-sulfonamide
CID 103110455
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide (CID 84591422) is N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide is CCC(N)(CC)CNS(=O)(=O)c1sccc1Br.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide?
The InChIKey is SZPFPNLWJAQPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2S2/c1-3-10(12,4-2)7-13-17(14,15)9-8(11)5-6-16-9/h5-6,13H,3-4,7,12H2,1-2H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide?
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide has a molecular weight of 341.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide is sourced from PubChem (CID 84591422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).