2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one

C14H19NO2S — CID 132760012

IUPAC2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(SC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-11(14(16)15-9-3-4-10-15)18-13-7-5-12(17-2)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyFSKHFDDMBMYDFF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one

2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 132760012) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID132760012
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(SC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-11(14(16)15-9-3-4-10-15)18-13-7-5-12(17-2)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyFSKHFDDMBMYDFF-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 39074926
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 78898732
(2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 987992
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 785177
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 119621716
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 55825746
2-(2-amino-5-methoxyphenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 79515202
(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one
CID 125142459

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one (CID 132760012) is 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(SC(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FSKHFDDMBMYDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11(14(16)15-9-3-4-10-15)18-13-7-5-12(17-2)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 265.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 132760012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).