2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone

C16H23NOS — CID 43796358

IUPAC2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(SC)cc1)C1CCCC1
InChIInChI=1S/C16H23NOS/c1-3-17(14-6-4-5-7-14)12-16(18)13-8-10-15(19-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3
InChIKeyQSHHHWKKNWWFJL-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.86
Rot. Bonds6

About 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone

2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 43796358) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
PubChem CID43796358
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(SC)cc1)C1CCCC1
InChIInChI=1S/C16H23NOS/c1-3-17(14-6-4-5-7-14)12-16(18)13-8-10-15(19-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3
InChIKeyQSHHHWKKNWWFJL-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone (CID 43796358) is 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone is CCN(CC(=O)c1ccc(SC)cc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is QSHHHWKKNWWFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-17(14-6-4-5-7-14)12-16(18)13-8-10-15(19-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3.
What are the key properties of 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 277.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 43796358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).