2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide

C15H23BrN2OS — CID 102828933

IUPAC2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
SMILESCc1sc(C(N)CC2(CC(N)=O)CCCCC2)cc1Br
InChIInChI=1S/C15H23BrN2OS/c1-10-11(16)7-13(20-10)12(17)8-15(9-14(18)19)5-3-2-4-6-15/h7,12H,2-6,8-9,17H2,1H3,(H2,18,19)
InChIKeyWNYAGUBWTZVALT-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.03
Rot. Bonds5

About 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide

2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide (PubChem CID 102828933) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
PubChem CID102828933
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
SMILESCc1sc(C(N)CC2(CC(N)=O)CCCCC2)cc1Br
InChIInChI=1S/C15H23BrN2OS/c1-10-11(16)7-13(20-10)12(17)8-15(9-14(18)19)5-3-2-4-6-15/h7,12H,2-6,8-9,17H2,1H3,(H2,18,19)
InChIKeyWNYAGUBWTZVALT-UHFFFAOYSA-N
XLogP4.03
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetate
CID 102828927
2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828964
ethyl 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 102828971
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 102828999
2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
CID 60862171
methyl 2-[1-[2-amino-2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetate
CID 80532193
2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
CID 81049292
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
methyl 2-[1-[2-amino-2-(5-bromothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 61104186
(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 130553169
methyl 5-amino-5-(4-bromo-5-methylthiophen-2-yl)-3-methylpentanoate
CID 102828928

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide (CID 102828933) is 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide is Cc1sc(C(N)CC2(CC(N)=O)CCCCC2)cc1Br.
What is the InChIKey of 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is WNYAGUBWTZVALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-10-11(16)7-13(20-10)12(17)8-15(9-14(18)19)5-3-2-4-6-15/h7,12H,2-6,8-9,17H2,1H3,(H2,18,19).
What are the key properties of 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide?
2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 359.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 102828933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).