1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one

C13H19NOS — CID 116579929

IUPAC1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
SMILESNC1CCCCC1C(=O)CCc1ccsc1
InChIInChI=1S/C13H19NOS/c14-12-4-2-1-3-11(12)13(15)6-5-10-7-8-16-9-10/h7-9,11-12H,1-6,14H2
InChIKeyMFSBUEPIDDFEMP-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.77
Rot. Bonds4

About 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one

1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 116579929) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
PubChem CID116579929
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
SMILESNC1CCCCC1C(=O)CCc1ccsc1
InChIInChI=1S/C13H19NOS/c14-12-4-2-1-3-11(12)13(15)6-5-10-7-8-16-9-10/h7-9,11-12H,1-6,14H2
InChIKeyMFSBUEPIDDFEMP-UHFFFAOYSA-N
XLogP2.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one 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

1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
CID 116589205
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 116558832

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one (CID 116579929) is 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one is NC1CCCCC1C(=O)CCc1ccsc1.
What is the InChIKey of 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is MFSBUEPIDDFEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c14-12-4-2-1-3-11(12)13(15)6-5-10-7-8-16-9-10/h7-9,11-12H,1-6,14H2.
What are the key properties of 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one?
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 237.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116579929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).