8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine

C22H26N2OS — CID 10126235

IUPAC8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine
SMILESCOc1cccc2c1C(=C1CCN(C)CC1)c1ccc(N(C)C)cc1S2
InChIInChI=1S/C22H26N2OS/c1-23(2)16-8-9-17-20(14-16)26-19-7-5-6-18(25-4)22(19)21(17)15-10-12-24(3)13-11-15/h5-9,14H,10-13H2,1-4H3
InChIKeyYMTDTSKJKGAAPG-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.75
Rot. Bonds2

About 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine

8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine (PubChem CID 10126235) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine.

Molecular Properties

Compound Name8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine
PubChem CID10126235
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine
SMILESCOc1cccc2c1C(=C1CCN(C)CC1)c1ccc(N(C)C)cc1S2
InChIInChI=1S/C22H26N2OS/c1-23(2)16-8-9-17-20(14-16)26-19-7-5-6-18(25-4)22(19)21(17)15-10-12-24(3)13-11-15/h5-9,14H,10-13H2,1-4H3
InChIKeyYMTDTSKJKGAAPG-UHFFFAOYSA-N
XLogP4.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine?
The IUPAC name of 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine (CID 10126235) is 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine.
What is the SMILES notation for 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine?
The canonical SMILES for 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine is COc1cccc2c1C(=C1CCN(C)CC1)c1ccc(N(C)C)cc1S2.
What is the InChIKey of 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine?
The InChIKey is YMTDTSKJKGAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-23(2)16-8-9-17-20(14-16)26-19-7-5-6-18(25-4)22(19)21(17)15-10-12-24(3)13-11-15/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine?
8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine has a molecular weight of 366.53 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,N-dimethyl-9-(1-methylpiperidin-4-ylidene)thioxanthen-3-amine is sourced from PubChem (CID 10126235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).