2-(dipropylamino)sulfanylisoindole-1,3-dione

C14H18N2O2S — CID 21441522

IUPAC2-(dipropylamino)sulfanylisoindole-1,3-dione
SMILESCCCN(CCC)SN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O2S/c1-3-9-15(10-4-2)19-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8H,3-4,9-10H2,1-2H3
InChIKeyODYOMCAQBKZHDU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.97
Rot. Bonds6

About 2-(dipropylamino)sulfanylisoindole-1,3-dione

2-(dipropylamino)sulfanylisoindole-1,3-dione (PubChem CID 21441522) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(dipropylamino)sulfanylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(dipropylamino)sulfanylisoindole-1,3-dione
PubChem CID21441522
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(dipropylamino)sulfanylisoindole-1,3-dione
SMILESCCCN(CCC)SN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O2S/c1-3-9-15(10-4-2)19-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8H,3-4,9-10H2,1-2H3
InChIKeyODYOMCAQBKZHDU-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(propyldisulfanyl)isoindole-1,3-dione
CID 12761629
2-[[decyl-[(1,3-dioxoisoindol-2-yl)methyl]amino]methyl]isoindole-1,3-dione
CID 154096403
2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
3-[(1,3-dioxoisoindol-2-yl)methyl]-1,1-dipropylurea
CID 19258991
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
2-(1,2,2-trichloroethylsulfanyl)isoindole-1,3-dione
CID 139651000
CID 58635188
CID 58635188
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide
CID 126959212
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)sulfanylisoindole-1,3-dione?
The IUPAC name of 2-(dipropylamino)sulfanylisoindole-1,3-dione (CID 21441522) is 2-(dipropylamino)sulfanylisoindole-1,3-dione.
What is the SMILES notation for 2-(dipropylamino)sulfanylisoindole-1,3-dione?
The canonical SMILES for 2-(dipropylamino)sulfanylisoindole-1,3-dione is CCCN(CCC)SN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(dipropylamino)sulfanylisoindole-1,3-dione?
The InChIKey is ODYOMCAQBKZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-9-15(10-4-2)19-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(dipropylamino)sulfanylisoindole-1,3-dione?
2-(dipropylamino)sulfanylisoindole-1,3-dione has a molecular weight of 278.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)sulfanylisoindole-1,3-dione is sourced from PubChem (CID 21441522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).