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

C12H18ClNOS — CID 26534

IUPAC2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride
SMILESCCNC1(c2cccs2)CCCCC1=O.Cl
InChIInChI=1S/C12H17NOS.ClH/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;1H
InChIKeyZUYKJZQOPXDNOK-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.12
Rot. Bonds3

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

2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride (PubChem CID 26534) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride
PubChem CID26534
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride
SMILESCCNC1(c2cccs2)CCCCC1=O.Cl
InChIInChI=1S/C12H17NOS.ClH/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;1H
InChIKeyZUYKJZQOPXDNOK-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride?
The IUPAC name of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride (CID 26534) is 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride is CCNC1(c2cccs2)CCCCC1=O.Cl.
What is the InChIKey of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride?
The InChIKey is ZUYKJZQOPXDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS.ClH/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;1H.
What are the key properties of 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride?
2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride has a molecular weight of 259.80 g/mol, XLogP of 3.12, 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;hydrochloride is sourced from PubChem (CID 26534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).