5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C14H23NO3S — CID 106159457

IUPAC5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(C(C)C(CO)SC)C(=O)C2C1
InChIInChI=1S/C14H23NO3S/c1-4-9-5-10-11(6-9)14(18)15(13(10)17)8(2)12(7-16)19-3/h8-12,16H,4-7H2,1-3H3
InChIKeyYNBUOEUTZFKCHS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.52
Rot. Bonds5

About 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 106159457) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID106159457
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(C(C)C(CO)SC)C(=O)C2C1
InChIInChI=1S/C14H23NO3S/c1-4-9-5-10-11(6-9)14(18)15(13(10)17)8(2)12(7-16)19-3/h8-12,16H,4-7H2,1-3H3
InChIKeyYNBUOEUTZFKCHS-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(4-hydroxy-2-methylbutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513192
2-cyclopropyl-2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid
CID 114512313
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione
CID 106159464
3-[(2S)-1-hydroxybutan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107861617
2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanedioic acid
CID 114512304
5-ethyl-2-[1-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513168
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114152232
5-ethyl-2-[2-(ethylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513427
2-[(2R)-1-hydroxybutan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107861671
5-ethyl-2-[2-(ethylamino)-3-methylbutyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513447
2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106159456
5-ethyl-2-[(1S,2S)-2-hydroxycyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102735297

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 106159457) is 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(C(C)C(CO)SC)C(=O)C2C1.
What is the InChIKey of 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is YNBUOEUTZFKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-9-5-10-11(6-9)14(18)15(13(10)17)8(2)12(7-16)19-3/h8-12,16H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 285.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 106159457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).