1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one

C16H25NOS — CID 79074938

IUPAC1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
SMILESCN(C)C1(C(=O)CCc2cccs2)CCCCCC1
InChIInChI=1S/C16H25NOS/c1-17(2)16(11-5-3-4-6-12-16)15(18)10-9-14-8-7-13-19-14/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyFEOXCRMMSYGHIZ-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.90
Rot. Bonds5

About 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one

1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one (PubChem CID 79074938) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
PubChem CID79074938
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
SMILESCN(C)C1(C(=O)CCc2cccs2)CCCCCC1
InChIInChI=1S/C16H25NOS/c1-17(2)16(11-5-3-4-6-12-16)15(18)10-9-14-8-7-13-19-14/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyFEOXCRMMSYGHIZ-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 103449732
1-[methyl(4-thiophen-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120540062
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one
CID 79058490
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethanone
CID 79067610
1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116563126
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
CID 4210660
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62277733

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one (CID 79074938) is 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one is CN(C)C1(C(=O)CCc2cccs2)CCCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is FEOXCRMMSYGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-17(2)16(11-5-3-4-6-12-16)15(18)10-9-14-8-7-13-19-14/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one?
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 279.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 79074938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).