(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione

C18H17N3O2S — CID 706184

IUPAC(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
SMILESC=CCN1C(=O)[C@]2(NC(=O)c3c(sc(C)c3C)N2)c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-4-9-21-13-8-6-5-7-12(13)18(17(21)23)19-15(22)14-10(2)11(3)24-16(14)20-18/h4-8,20H,1,9H2,2-3H3,(H,19,22)/t18-/m0/s1
InChIKeyVVTWCOUPEHHKRP-SFHVURJKSA-N
MW339.42 g/mol
LogP2.91
Rot. Bonds2

About (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione

(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione (PubChem CID 706184) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
PubChem CID706184
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione
SMILESC=CCN1C(=O)[C@]2(NC(=O)c3c(sc(C)c3C)N2)c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-4-9-21-13-8-6-5-7-12(13)18(17(21)23)19-15(22)14-10(2)11(3)24-16(14)20-18/h4-8,20H,1,9H2,2-3H3,(H,19,22)/t18-/m0/s1
InChIKeyVVTWCOUPEHHKRP-SFHVURJKSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione (CID 706184) is (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione is C=CCN1C(=O)[C@]2(NC(=O)c3c(sc(C)c3C)N2)c2ccccc21.
What is the InChIKey of (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
The InChIKey is VVTWCOUPEHHKRP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-4-9-21-13-8-6-5-7-12(13)18(17(21)23)19-15(22)14-10(2)11(3)24-16(14)20-18/h4-8,20H,1,9H2,2-3H3,(H,19,22)/t18-/m0/s1.
What are the key properties of (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione?
(2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione has a molecular weight of 339.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,6-dimethyl-1'-prop-2-enylspiro[1,3-dihydrothieno[2,3-d]pyrimidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 706184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).