4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one

C16H27NOS — CID 79061299

IUPAC4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
SMILESCCN(CC)C(CC)(CC)C(=O)CCc1ccsc1
InChIInChI=1S/C16H27NOS/c1-5-16(6-2,17(7-3)8-4)15(18)10-9-14-11-12-19-13-14/h11-13H,5-10H2,1-4H3
InChIKeyUSALOHWJMXSVEH-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.15
Rot. Bonds9

About 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one

4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one (PubChem CID 79061299) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one.

Molecular Properties

Compound Name4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
PubChem CID79061299
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
SMILESCCN(CC)C(CC)(CC)C(=O)CCc1ccsc1
InChIInChI=1S/C16H27NOS/c1-5-16(6-2,17(7-3)8-4)15(18)10-9-14-11-12-19-13-14/h11-13H,5-10H2,1-4H3
InChIKeyUSALOHWJMXSVEH-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one
CID 64757946
2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
CID 84752460
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
(E)-1-thiophen-3-ylhept-4-en-3-one
CID 103454342
3-(3-methylidenepentyl)thiophene
CID 143047550
3-methyl-3-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 75482441
N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
CID 113411312
N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
CID 18118510
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?
The IUPAC name of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one (CID 79061299) is 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one.
What is the SMILES notation for 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?
The canonical SMILES for 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one is CCN(CC)C(CC)(CC)C(=O)CCc1ccsc1.
What is the InChIKey of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?
The InChIKey is USALOHWJMXSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-16(6-2,17(7-3)8-4)15(18)10-9-14-11-12-19-13-14/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one?
4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one has a molecular weight of 281.46 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one is sourced from PubChem (CID 79061299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).