2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone

C15H23NOS — CID 112661909

IUPAC2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(C)CCSC)cc1
InChIInChI=1S/C15H23NOS/c1-4-5-13-6-8-14(9-7-13)15(17)12-16(2)10-11-18-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyRULGUBXCNJYRAU-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.12
Rot. Bonds8

About 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone

2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone (PubChem CID 112661909) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
PubChem CID112661909
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(C)CCSC)cc1
InChIInChI=1S/C15H23NOS/c1-4-5-13-6-8-14(9-7-13)15(17)12-16(2)10-11-18-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyRULGUBXCNJYRAU-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 146007939
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63699353
1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 60649844
2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 60650562
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
CID 43795164
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 60914564
4-[methyl-[2-(4-propylphenyl)ethyl]amino]-3-oxobutanenitrile
CID 117038559
1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
CID 112661956
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone (CID 112661909) is 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN(C)CCSC)cc1.
What is the InChIKey of 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone?
The InChIKey is RULGUBXCNJYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-5-13-6-8-14(9-7-13)15(17)12-16(2)10-11-18-3/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone?
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone has a molecular weight of 265.42 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 112661909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).