N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine

C24H23N3O2S — CID 71104627

IUPACN-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
SMILESCn1c2ccccc2c2cc(/C=N/N(c3ccccc3)C3CCS(=O)(=O)C3)ccc21
InChIInChI=1S/C24H23N3O2S/c1-26-23-10-6-5-9-21(23)22-15-18(11-12-24(22)26)16-25-27(19-7-3-2-4-8-19)20-13-14-30(28,29)17-20/h2-12,15-16,20H,13-14,17H2,1H3/b25-16+
InChIKeyXYMVJKSFYGTILX-PCLIKHOPSA-N
MW417.53 g/mol
LogP4.36
Rot. Bonds4

About N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine

N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine (PubChem CID 71104627) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine.

Molecular Properties

Compound NameN-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
PubChem CID71104627
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
SMILESCn1c2ccccc2c2cc(/C=N/N(c3ccccc3)C3CCS(=O)(=O)C3)ccc21
InChIInChI=1S/C24H23N3O2S/c1-26-23-10-6-5-9-21(23)22-15-18(11-12-24(22)26)16-25-27(19-7-3-2-4-8-19)20-13-14-30(28,29)17-20/h2-12,15-16,20H,13-14,17H2,1H3/b25-16+
InChIKeyXYMVJKSFYGTILX-PCLIKHOPSA-N
XLogP4.36
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
The IUPAC name of N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine (CID 71104627) is N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine.
What is the SMILES notation for N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
The canonical SMILES for N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine is Cn1c2ccccc2c2cc(/C=N/N(c3ccccc3)C3CCS(=O)(=O)C3)ccc21.
What is the InChIKey of N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
The InChIKey is XYMVJKSFYGTILX-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-26-23-10-6-5-9-21(23)22-15-18(11-12-24(22)26)16-25-27(19-7-3-2-4-8-19)20-13-14-30(28,29)17-20/h2-12,15-16,20H,13-14,17H2,1H3/b25-16+.
What are the key properties of N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine has a molecular weight of 417.53 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine is sourced from PubChem (CID 71104627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).