3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide

C17H26N2OS — CID 22717775

IUPAC3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
SMILESCCSC(CC(=O)NCCc1ccccc1)C1CCCN1
InChIInChI=1S/C17H26N2OS/c1-2-21-16(15-9-6-11-18-15)13-17(20)19-12-10-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,19,20)
InChIKeyJOSSWTYLAORAIL-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.61
Rot. Bonds8

About 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide

3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide (PubChem CID 22717775) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
PubChem CID22717775
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
SMILESCCSC(CC(=O)NCCc1ccccc1)C1CCCN1
InChIInChI=1S/C17H26N2OS/c1-2-21-16(15-9-6-11-18-15)13-17(20)19-12-10-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,19,20)
InChIKeyJOSSWTYLAORAIL-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide
CID 22717759
tert-butyl 2-[1-ethylsulfanyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidine-1-carboxylate
CID 22717788
3-methylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylbutanamide
CID 91524936
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine
CID 67003274
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
N-(2-phenylethyl)-2-piperidin-4-yloxyacetamide
CID 63877044
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
The IUPAC name of 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide (CID 22717775) is 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
The canonical SMILES for 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide is CCSC(CC(=O)NCCc1ccccc1)C1CCCN1.
What is the InChIKey of 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
The InChIKey is JOSSWTYLAORAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-21-16(15-9-6-11-18-15)13-17(20)19-12-10-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,19,20).
What are the key properties of 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide?
3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide has a molecular weight of 306.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(2-phenylethyl)-3-pyrrolidin-2-ylpropanamide is sourced from PubChem (CID 22717775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).