1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one

C16H23NOS — CID 62051971

IUPAC1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)C2CCSC2)cc1
InChIInChI=1S/C16H23NOS/c1-4-13-5-7-14(8-6-13)16(18)12(2)17(3)15-9-10-19-11-15/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyYLQCZAXDOHULRM-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one

1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one (PubChem CID 62051971) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
PubChem CID62051971
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)C2CCSC2)cc1
InChIInChI=1S/C16H23NOS/c1-4-13-5-7-14(8-6-13)16(18)12(2)17(3)15-9-10-19-11-15/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyYLQCZAXDOHULRM-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051389
1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62052545
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990
methyl 5-[1-[methyl(thiolan-3-yl)amino]ethyl]furan-2-carboxylate
CID 79084096
2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone
CID 103455896
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide
CID 76893763
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-2-methylpropanenitrile
CID 62051506
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one (CID 62051971) is 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one is CCc1ccc(C(=O)C(C)N(C)C2CCSC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The InChIKey is YLQCZAXDOHULRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-4-13-5-7-14(8-6-13)16(18)12(2)17(3)15-9-10-19-11-15/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one has a molecular weight of 277.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one is sourced from PubChem (CID 62051971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).