N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

C12H20BrClN2O2S2 — CID 119958803

IUPACN-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C12H19BrN2O2S2.ClH/c1-9-10(7-11(13)18-9)19(16,17)15-8-12(14)5-3-2-4-6-12;/h7,15H,2-6,8,14H2,1H3;1H
InChIKeyJQSQWXHNBLNWQG-UHFFFAOYSA-N
MW403.80 g/mol
LogP3.18
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (PubChem CID 119958803) has the molecular formula C12H20BrClN2O2S2 and a molecular weight of 403.80 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
PubChem CID119958803
Molecular FormulaC12H20BrClN2O2S2
Molecular Weight403.80 g/mol
Exact Mass401.98
IUPAC NameN-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C12H19BrN2O2S2.ClH/c1-9-10(7-11(13)18-9)19(16,17)15-8-12(14)5-3-2-4-6-12;/h7,15H,2-6,8,14H2,1H3;1H
InChIKeyJQSQWXHNBLNWQG-UHFFFAOYSA-N
XLogP3.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 113295045
5-bromo-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987960
5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 107165046
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride (CID 119958803) is N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is Cc1sc(Br)cc1S(=O)(=O)NCC1(N)CCCCC1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
The InChIKey is JQSQWXHNBLNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S2.ClH/c1-9-10(7-11(13)18-9)19(16,17)15-8-12(14)5-3-2-4-6-12;/h7,15H,2-6,8,14H2,1H3;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride has a molecular weight of 403.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119958803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).