1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one

C15H21NOS — CID 58107839

IUPAC1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one
SMILESO=C(CCCN1CCCC1)CSc1ccccc1
InChIInChI=1S/C15H21NOS/c17-14(7-6-12-16-10-4-5-11-16)13-18-15-8-2-1-3-9-15/h1-3,8-9H,4-7,10-13H2
InChIKeyDZYFZZJRHLROGY-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.22
Rot. Bonds7

About 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one

1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one (PubChem CID 58107839) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one
PubChem CID58107839
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one
SMILESO=C(CCCN1CCCC1)CSc1ccccc1
InChIInChI=1S/C15H21NOS/c17-14(7-6-12-16-10-4-5-11-16)13-18-15-8-2-1-3-9-15/h1-3,8-9H,4-7,10-13H2
InChIKeyDZYFZZJRHLROGY-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
2-(2-Phenylthioethyl)-1-methylpyrrolidine
CID 10513195
1-[1-(4-Fluorophenyl)sulfanylethyl]pyrrolidin-2-one
CID 101898098
2-(Phenylsulfanyl)-1-(pyrrolidin-1-yl)ethanone
CID 955797
1-(1-Phenylsulfanylethyl)pyrrolidin-2-one
CID 11127849
N-2-(phenylthio)ethylpyrrolidinone
CID 112729036
1-[2-(2,4-Difluorophenyl)sulfanylethyl]pyrrolidin-2-one
CID 56812382
1-[2-(Benzenesulfinyl)ethyl]pyrrolidine
CID 3042246
1-(3,3,4,4,5,5,6,6,6-Nonafluoro-1-phenylsulfanylhexyl)pyrrolidin-2-one
CID 175534060
1-(2-Phenylsulfanyl-ethyl)-pyrrolidine
CID 558487
2-Pyrrolidinone, 1-methyl-3-(phenylthio)-
CID 11148452
1-(2-Phenylsulfanylpyrrolidin-1-yl)ethanone
CID 13977395

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one?
The IUPAC name of 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one (CID 58107839) is 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one.
What is the SMILES notation for 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one?
The canonical SMILES for 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one is O=C(CCCN1CCCC1)CSc1ccccc1.
What is the InChIKey of 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one?
The InChIKey is DZYFZZJRHLROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-14(7-6-12-16-10-4-5-11-16)13-18-15-8-2-1-3-9-15/h1-3,8-9H,4-7,10-13H2.
What are the key properties of 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one?
1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one has a molecular weight of 263.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-5-pyrrolidin-1-ylpentan-2-one is sourced from PubChem (CID 58107839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).