2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone

C16H23NOS — CID 63631436

IUPAC2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CN(C)CC2CCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-17(11-13-5-3-4-6-13)12-16(18)14-7-9-15(19-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyWKRUJHJROVHUJK-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.71
Rot. Bonds6

About 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone

2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 63631436) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
PubChem CID63631436
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CN(C)CC2CCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-17(11-13-5-3-4-6-13)12-16(18)14-7-9-15(19-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyWKRUJHJROVHUJK-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43796358
2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55248864
N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide
CID 62053546
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
CID 63630548
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone (CID 63631436) is 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)CN(C)CC2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is WKRUJHJROVHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17(11-13-5-3-4-6-13)12-16(18)14-7-9-15(19-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 277.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 63631436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).