N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

C11H18BrClN2O2S2 — CID 119970502

IUPACN-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-7-10(6-11(12)17-7)18(15,16)14-9-4-2-8(13)3-5-9;/h6,8-9,14H,2-5,13H2,1H3;1H
InChIKeySOSLEJARSVCNCG-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.79
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (PubChem CID 119970502) has the molecular formula C11H18BrClN2O2S2 and a molecular weight of 389.77 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
PubChem CID119970502
Molecular FormulaC11H18BrClN2O2S2
Molecular Weight389.77 g/mol
Exact Mass387.97
IUPAC NameN-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-7-10(6-11(12)17-7)18(15,16)14-9-4-2-8(13)3-5-9;/h6,8-9,14H,2-5,13H2,1H3;1H
InChIKeySOSLEJARSVCNCG-UHFFFAOYSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
CID 104600176
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988314
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 104696903
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119986592
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (CID 119970502) is N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is Cc1sc(Br)cc1S(=O)(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The InChIKey is SOSLEJARSVCNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2.ClH/c1-7-10(6-11(12)17-7)18(15,16)14-9-4-2-8(13)3-5-9;/h6,8-9,14H,2-5,13H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119970502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).