2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone

C13H19NOS — CID 116601534

IUPAC2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
SMILESCC1CCCC(C(=O)C(N)c2cccs2)C1
InChIInChI=1S/C13H19NOS/c1-9-4-2-5-10(8-9)13(15)12(14)11-6-3-7-16-11/h3,6-7,9-10,12H,2,4-5,8,14H2,1H3
InChIKeyBDJIEBVGEMLIFF-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.14
Rot. Bonds3

About 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone

2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone (PubChem CID 116601534) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
PubChem CID116601534
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
SMILESCC1CCCC(C(=O)C(N)c2cccs2)C1
InChIInChI=1S/C13H19NOS/c1-9-4-2-5-10(8-9)13(15)12(14)11-6-3-7-16-11/h3,6-7,9-10,12H,2,4-5,8,14H2,1H3
InChIKeyBDJIEBVGEMLIFF-UHFFFAOYSA-N
XLogP3.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate
CID 114197190
3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 115287229
2-amino-N-(2,4-dimethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287324
cyclobutyl 2-amino-2-thiophen-2-ylacetate
CID 115285077
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
2-[chloro-(3-methylcyclohexyl)methyl]thiophene
CID 131021308
2-amino-N-[(1R)-1-cycloheptylethyl]-2-thiophen-2-ylacetamide
CID 115287598
2-amino-N-(dicyclopropylmethyl)-2-thiophen-2-ylacetamide
CID 115286946
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 107398508
(2,6-dimethyloxan-4-yl) 2-amino-2-thiophen-2-ylacetate
CID 113369221

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone (CID 116601534) is 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone is CC1CCCC(C(=O)C(N)c2cccs2)C1.
What is the InChIKey of 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone?
The InChIKey is BDJIEBVGEMLIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-4-2-5-10(8-9)13(15)12(14)11-6-3-7-16-11/h3,6-7,9-10,12H,2,4-5,8,14H2,1H3.
What are the key properties of 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone?
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone has a molecular weight of 237.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 116601534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).