1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone

C15H23NOS — CID 79074375

IUPAC1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
SMILESCC1CCCC(C(=O)Cc2cccs2)(N(C)C)C1
InChIInChI=1S/C15H23NOS/c1-12-6-4-8-15(11-12,16(2)3)14(17)10-13-7-5-9-18-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3
InChIKeyIHNUKJNYOIAROC-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.37
Rot. Bonds4

About 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone

1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone (PubChem CID 79074375) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
PubChem CID79074375
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
SMILESCC1CCCC(C(=O)Cc2cccs2)(N(C)C)C1
InChIInChI=1S/C15H23NOS/c1-12-6-4-8-15(11-12,16(2)3)14(17)10-13-7-5-9-18-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3
InChIKeyIHNUKJNYOIAROC-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79074745
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
CID 79074378
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79074674
1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
CID 79074670
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116749303
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone (CID 79074375) is 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone is CC1CCCC(C(=O)Cc2cccs2)(N(C)C)C1.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone?
The InChIKey is IHNUKJNYOIAROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-6-4-8-15(11-12,16(2)3)14(17)10-13-7-5-9-18-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone?
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone has a molecular weight of 265.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 79074375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).