2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one

C20H24N2OS — CID 120593719

IUPAC2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCC(CSc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-20(21,17-8-4-2-5-9-17)19(23)22-13-12-16(14-22)15-24-18-10-6-3-7-11-18/h2-11,16H,12-15,21H2,1H3
InChIKeyBXOIVROAMUQHSH-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.50
Rot. Bonds5

About 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one

2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 120593719) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID120593719
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCC(CSc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-20(21,17-8-4-2-5-9-17)19(23)22-13-12-16(14-22)15-24-18-10-6-3-7-11-18/h2-11,16H,12-15,21H2,1H3
InChIKeyBXOIVROAMUQHSH-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120592459
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 120595489
(2R)-2-methylsulfanyl-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 96568475
2-amino-2-(4-methylphenyl)-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 120668987
(2S)-2-amino-4-methylsulfanyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]butan-1-one
CID 119338532
1-[3-(phenylsulfanylmethyl)piperidin-1-yl]ethanone
CID 110672438

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one (CID 120593719) is 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one is CC(N)(C(=O)N1CCC(CSc2ccccc2)C1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BXOIVROAMUQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-20(21,17-8-4-2-5-9-17)19(23)22-13-12-16(14-22)15-24-18-10-6-3-7-11-18/h2-11,16H,12-15,21H2,1H3.
What are the key properties of 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one?
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 340.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 120593719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).