4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide

C15H23BrN2OS — CID 102628561

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCc2ccc(Br)s2)C1(C)C
InChIInChI=1S/C15H23BrN2OS/c1-9-12(17)6-5-11(15(9,2)3)14(19)18-8-10-4-7-13(16)20-10/h4,7,9,11-12H,5-6,8,17H2,1-3H3,(H,18,19)
InChIKeyRLPFQFQNKZAXDF-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.53
Rot. Bonds3

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628561) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628561
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCc2ccc(Br)s2)C1(C)C
InChIInChI=1S/C15H23BrN2OS/c1-9-12(17)6-5-11(15(9,2)3)14(19)18-8-10-4-7-13(16)20-10/h4,7,9,11-12H,5-6,8,17H2,1-3H3,(H,18,19)
InChIKeyRLPFQFQNKZAXDF-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

3-[(5-bromothiophen-2-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835040
4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 102628763
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
cis-(1R,3S)-3-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319772
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63714977
4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208355
1-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441792
4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 102628487
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
CID 66248690
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628561) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCc2ccc(Br)s2)C1(C)C.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is RLPFQFQNKZAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-9-12(17)6-5-11(15(9,2)3)14(19)18-8-10-4-7-13(16)20-10/h4,7,9,11-12H,5-6,8,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).