3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one

C11H22N2OS — CID 115647680

IUPAC3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCSCCNCCC(=O)N1CCCC1
InChIInChI=1S/C11H22N2OS/c1-2-15-10-7-12-6-5-11(14)13-8-3-4-9-13/h12H,2-10H2,1H3
InChIKeyUUKDEDLUDUCPIW-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds7

About 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115647680) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115647680
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCSCCNCCC(=O)N1CCCC1
InChIInChI=1S/C11H22N2OS/c1-2-15-10-7-12-6-5-11(14)13-8-3-4-9-13/h12H,2-10H2,1H3
InChIKeyUUKDEDLUDUCPIW-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203515
methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 104645030
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
CID 107007094
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 115647680) is 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one is CCSCCNCCC(=O)N1CCCC1.
What is the InChIKey of 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UUKDEDLUDUCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-15-10-7-12-6-5-11(14)13-8-3-4-9-13/h12H,2-10H2,1H3.
What are the key properties of 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115647680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).