N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

C10H16BrClN2O2S2 — CID 119986592

IUPACN-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-6-9(4-10(11)16-6)17(14,15)13-8(5-12)7-2-3-7;/h4,7-8,13H,2-3,5,12H2,1H3;1H
InChIKeyZNPQIRNGLQBMHJ-UHFFFAOYSA-N
MW375.74 g/mol
LogP2.26
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (PubChem CID 119986592) has the molecular formula C10H16BrClN2O2S2 and a molecular weight of 375.74 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
PubChem CID119986592
Molecular FormulaC10H16BrClN2O2S2
Molecular Weight375.74 g/mol
Exact Mass373.95
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-6-9(4-10(11)16-6)17(14,15)13-8(5-12)7-2-3-7;/h4,7-8,13H,2-3,5,12H2,1H3;1H
InChIKeyZNPQIRNGLQBMHJ-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
CID 65188352
N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577887
N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527910
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
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
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (CID 119986592) is N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is Cc1sc(Br)cc1S(=O)(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The InChIKey is ZNPQIRNGLQBMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2.ClH/c1-6-9(4-10(11)16-6)17(14,15)13-8(5-12)7-2-3-7;/h4,7-8,13H,2-3,5,12H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119986592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).