N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide

C15H22N2OS — CID 119804444

IUPACN-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(CNC(=O)CC1CCCN1)Sc1ccccc1
InChIInChI=1S/C15H22N2OS/c1-12(19-14-7-3-2-4-8-14)11-17-15(18)10-13-6-5-9-16-13/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyUPWFWLXQHRJBRQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.43
Rot. Bonds6

About N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide

N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119804444) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
PubChem CID119804444
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(CNC(=O)CC1CCCN1)Sc1ccccc1
InChIInChI=1S/C15H22N2OS/c1-12(19-14-7-3-2-4-8-14)11-17-15(18)10-13-6-5-9-16-13/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyUPWFWLXQHRJBRQ-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119777713
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
N-(2-methyl-3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119750679
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
N-(2,3-diphenylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119803974
N-[2-(2-methoxyphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804831

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide (CID 119804444) is N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide is CC(CNC(=O)CC1CCCN1)Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is UPWFWLXQHRJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12(19-14-7-3-2-4-8-14)11-17-15(18)10-13-6-5-9-16-13/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide?
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 278.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119804444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).