1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone

C15H25NOS — CID 54999652

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(CC(C)C)C(C)C)c(C)s1
InChIInChI=1S/C15H25NOS/c1-10(2)8-16(11(3)4)9-15(17)14-7-12(5)18-13(14)6/h7,10-11H,8-9H2,1-6H3
InChIKeyIRHKWPDQDMXHTP-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.91
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone (PubChem CID 54999652) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone
PubChem CID54999652
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(CC(C)C)C(C)C)c(C)s1
InChIInChI=1S/C15H25NOS/c1-10(2)8-16(11(3)4)9-15(17)14-7-12(5)18-13(14)6/h7,10-11H,8-9H2,1-6H3
InChIKeyIRHKWPDQDMXHTP-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Pyrrolidinyl)-1-(2-thienyl)-1-pentanone
CID 71721462
2-(3,5-Dimethylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 5170821
3-[Benzyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one
CID 46232277
2-(4-Methylpiperidin-1-yl)-1-(thiophen-2-yl)ethan-1-one
CID 5081224
1-Propanone, 2-(isobutylamino)-1-(3-thienyl)-, hydrochloride
CID 208056
1-Butanone, 4-(diisopropylamino)-1-(3-thienyl)-, hydrobromide
CID 208062
2-(2-Ethylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 3550359
alpha-Pbt
CID 129844609
2-[Benzyl(propan-2-yl)amino]-1-thiophen-2-ylethanone
CID 2389185
2-(Dimethylamino)-3-phenyl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 16196702
2-(Dimethylamino)-1-thiophen-2-ylethanone
CID 14650096
3-(Dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 12704418

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone (CID 54999652) is 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone is Cc1cc(C(=O)CN(CC(C)C)C(C)C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
The InChIKey is IRHKWPDQDMXHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10(2)8-16(11(3)4)9-15(17)14-7-12(5)18-13(14)6/h7,10-11H,8-9H2,1-6H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone has a molecular weight of 267.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[2-methylpropyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 54999652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).