2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione

C19H19N3O2S — CID 101075412

IUPAC2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione
SMILESCSc1cc2c(c3[nH]c4ccccc4c13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C19H19N3O2S/c1-21(2)8-9-22-18(23)12-10-14(25-3)15-11-6-4-5-7-13(11)20-17(15)16(12)19(22)24/h4-7,10,20H,8-9H2,1-3H3
InChIKeyGTFGYSLJANMNSQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.20
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione

2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione (PubChem CID 101075412) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione
PubChem CID101075412
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione
SMILESCSc1cc2c(c3[nH]c4ccccc4c13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C19H19N3O2S/c1-21(2)8-9-22-18(23)12-10-14(25-3)15-11-6-4-5-7-13(11)20-17(15)16(12)19(22)24/h4-7,10,20H,8-9H2,1-3H3
InChIKeyGTFGYSLJANMNSQ-UHFFFAOYSA-N
XLogP3.20
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione (CID 101075412) is 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione is CSc1cc2c(c3[nH]c4ccccc4c13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
The InChIKey is GTFGYSLJANMNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-21(2)8-9-22-18(23)12-10-14(25-3)15-11-6-4-5-7-13(11)20-17(15)16(12)19(22)24/h4-7,10,20H,8-9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione has a molecular weight of 353.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione is sourced from PubChem (CID 101075412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).