N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide

C13H18N2OS — CID 82297605

IUPACN-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC2CCCN2)cc1
InChIInChI=1S/C13H18N2OS/c1-10(16)15-11-4-6-13(7-5-11)17-9-12-3-2-8-14-12/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyZDIFMFONICHWAS-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.49
Rot. Bonds4

About N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide

N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 82297605) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
PubChem CID82297605
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC2CCCN2)cc1
InChIInChI=1S/C13H18N2OS/c1-10(16)15-11-4-6-13(7-5-11)17-9-12-3-2-8-14-12/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyZDIFMFONICHWAS-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
CID 82303870
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
N-[4-(pyrrolidin-3-ylmethylsulfanyl)phenyl]acetamide
CID 117033086
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
CID 47138243
N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
CID 106637015
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
CID 106636742
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
CID 106637716
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide (CID 82297605) is N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide is CC(=O)Nc1ccc(SCC2CCCN2)cc1.
What is the InChIKey of N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is ZDIFMFONICHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10(16)15-11-4-6-13(7-5-11)17-9-12-3-2-8-14-12/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide?
N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 250.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 82297605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).