2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one

C12H17NOS — CID 26533

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IUPAC2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one
SMILESCCNC1(c2cccs2)CCCCC1=O
InChIInChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3
InChIKeyQAXBVGVYDCAVLV-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.70
Rot. Bonds3

About 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one

2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one (PubChem CID 26533) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one
PubChem CID26533
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one
SMILESCCNC1(c2cccs2)CCCCC1=O
InChIInChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3
InChIKeyQAXBVGVYDCAVLV-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tiletamine Hydrochloride
CID 26534
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CID 896861
3-cyclopentyl-N-(2-thienylmethyl)propanamide
CID 845104
N-(1-phenylpropyl)-2-(2-thienyl)acetamide
CID 6470744
N-(thiophen-2-ylmethyl)cyclohexanecarboxamide
CID 845077
3,5-Dimethyl-2,6-dithien-2-ylpiperidin-4-one
CID 3237400
Prestwick-13G03
CID 6604469
4-Dimethylamino-4-(2-thienyl)cyclohexanone
CID 12595637
2-acetamido-N-benzyl-2-thiophen-2-ylacetamide
CID 14212838
N-(1-phenylethyl)-2-thiophen-2-ylacetamide
CID 3155579
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 25651755

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one?
The IUPAC name of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one (CID 26533) is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one is CCNC1(c2cccs2)CCCCC1=O.
What is the InChIKey of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one?
The InChIKey is QAXBVGVYDCAVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3.
What are the key properties of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one?
2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one has a molecular weight of 223.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one is sourced from PubChem (CID 26533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).