4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one

C13H19NOS — CID 114762087

IUPAC4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
SMILESCCN(Cc1cccs1)C1CCC(=O)CC1
InChIInChI=1S/C13H19NOS/c1-2-14(10-13-4-3-9-16-13)11-5-7-12(15)8-6-11/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyRMFFUMJPDMVNNU-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds4

About 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one

4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one (PubChem CID 114762087) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
PubChem CID114762087
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
SMILESCCN(Cc1cccs1)C1CCC(=O)CC1
InChIInChI=1S/C13H19NOS/c1-2-14(10-13-4-3-9-16-13)11-5-7-12(15)8-6-11/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyRMFFUMJPDMVNNU-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one
CID 75436316
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 134001328
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one (CID 114762087) is 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one is CCN(Cc1cccs1)C1CCC(=O)CC1.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
The InChIKey is RMFFUMJPDMVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-14(10-13-4-3-9-16-13)11-5-7-12(15)8-6-11/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one?
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one has a molecular weight of 237.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 114762087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).