N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide

C10H15BrN2O3S2 — CID 66195315

IUPACN-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O3S2/c1-2-16-7-5-6(12)10(7)13-18(14,15)9-4-3-8(11)17-9/h3-4,6-7,10,13H,2,5,12H2,1H3
InChIKeyIDPQVXWQHHFJGD-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.29
Rot. Bonds5

About N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide

N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide (PubChem CID 66195315) has the molecular formula C10H15BrN2O3S2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide
PubChem CID66195315
Molecular FormulaC10H15BrN2O3S2
Molecular Weight355.28 g/mol
Exact Mass353.97
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O3S2/c1-2-16-7-5-6(12)10(7)13-18(14,15)9-4-3-8(11)17-9/h3-4,6-7,10,13H,2,5,12H2,1H3
InChIKeyIDPQVXWQHHFJGD-UHFFFAOYSA-N
XLogP1.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-2,5-dibromothiophene-3-sulfonamide
CID 66196281
N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide
CID 66196091
N-(2-amino-4-ethoxycyclobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 66195701
N-(2-amino-4-ethoxycyclobutyl)pyrrolidine-1-sulfonamide
CID 66197438
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 43389482
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
4-[(2-amino-4-ethoxycyclobutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 66195914
5-bromo-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67524298
3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine
CID 114816159
5-bromothiophene-2-sulfonohydrazide
CID 23464136
N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
CID 66197803

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide (CID 66195315) is N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide is CCOC1CC(N)C1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide?
The InChIKey is IDPQVXWQHHFJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S2/c1-2-16-7-5-6(12)10(7)13-18(14,15)9-4-3-8(11)17-9/h3-4,6-7,10,13H,2,5,12H2,1H3.
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide?
N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide has a molecular weight of 355.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 66195315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).