N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

C11H20BrClN2O2S2 — CID 119981138

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C11H19BrN2O2S2.ClH/c1-4-11(5-2,7-13)14-18(15,16)9-6-10(12)17-8(9)3;/h6,14H,4-5,7,13H2,1-3H3;1H
InChIKeyJHEPYFJFNYUVPW-UHFFFAOYSA-N
MW391.78 g/mol
LogP3.04
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (PubChem CID 119981138) has the molecular formula C11H20BrClN2O2S2 and a molecular weight of 391.78 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
PubChem CID119981138
Molecular FormulaC11H20BrClN2O2S2
Molecular Weight391.78 g/mol
Exact Mass389.98
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(Br)sc1C.Cl
InChIInChI=1S/C11H19BrN2O2S2.ClH/c1-4-11(5-2,7-13)14-18(15,16)9-6-10(12)17-8(9)3;/h6,14H,4-5,7,13H2,1-3H3;1H
InChIKeyJHEPYFJFNYUVPW-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
CID 107868332
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-methylbenzenesulfonamide
CID 63888396
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119981156
N-[3-(aminomethyl)pentan-3-yl]-6-bromo-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119981178
N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 119981104
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-2-methylthiophene-3-sulfonamide
CID 106255936
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119986592
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (CID 119981138) is N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1cc(Br)sc1C.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The InChIKey is JHEPYFJFNYUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2S2.ClH/c1-4-11(5-2,7-13)14-18(15,16)9-6-10(12)17-8(9)3;/h6,14H,4-5,7,13H2,1-3H3;1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride has a molecular weight of 391.78 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119981138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).