5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one

C10H18N2OS — CID 106427567

IUPAC5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one
SMILESC=CCSCCNCC1CCC(=O)N1
InChIInChI=1S/C10H18N2OS/c1-2-6-14-7-5-11-8-9-3-4-10(13)12-9/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyLVIKJIDGOJRWNR-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.77
Rot. Bonds7

About 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one

5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one (PubChem CID 106427567) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one
PubChem CID106427567
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one
SMILESC=CCSCCNCC1CCC(=O)N1
InChIInChI=1S/C10H18N2OS/c1-2-6-14-7-5-11-8-9-3-4-10(13)12-9/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyLVIKJIDGOJRWNR-UHFFFAOYSA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
CID 106401472
N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine
CID 106425505
2,2-dimethyl-4-[(5-oxopyrrolidin-2-yl)methylamino]butanenitrile
CID 65253327
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166202
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049

Frequently Asked Questions

What is the IUPAC name of 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one (CID 106427567) is 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one is C=CCSCCNCC1CCC(=O)N1.
What is the InChIKey of 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one?
The InChIKey is LVIKJIDGOJRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-6-14-7-5-11-8-9-3-4-10(13)12-9/h2,9,11H,1,3-8H2,(H,12,13).
What are the key properties of 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one?
5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one has a molecular weight of 214.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 106427567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).