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

C24H23N3O2S — CID 71201048

IUPACN-[(Z)-(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-XYGWBWBKSA-N
MW417.53 g/mol
LogP4.36
Rot. Bonds4

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

N-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine (PubChem CID 71201048) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine.

Molecular Properties

Compound NameN-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
PubChem CID71201048
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[(Z)-(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-XYGWBWBKSA-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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Related Compounds

N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
CID 71104627
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 51110283
N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 110694489
N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
CID 110762572
N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 59922674
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18152364
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
CID 113153644

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
The IUPAC name of N-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine (CID 71201048) is N-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine.
What is the SMILES notation for N-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
The canonical SMILES for N-[(Z)-(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-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
The InChIKey is XYMVJKSFYGTILX-XYGWBWBKSA-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-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine?
N-[(Z)-(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-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine is sourced from PubChem (CID 71201048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).