N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine

C17H19NS — CID 20596

IUPACN-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
SMILESCNCCC=C1c2ccccc2CCc2sccc21
InChIInChI=1S/C17H19NS/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3
InChIKeyRDBMZAMQBNYOIJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.89
Rot. Bonds3

About N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine

N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine (PubChem CID 20596) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
PubChem CID20596
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
SMILESCNCCC=C1c2ccccc2CCc2sccc21
InChIInChI=1S/C17H19NS/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3
InChIKeyRDBMZAMQBNYOIJ-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

Pizotifen
CID 27400
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569433
Pizotyline hydrochloride
CID 3056070
Dithiaden
CID 6436111
10-Methyl-6-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),4,13,15-pentaene
CID 11637457
(3R)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569431
(4R)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
CID 44569435
(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
CID 44569437
N-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 155564060
N-methyl-N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156009944
N-(3-phenylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156010697

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine?
The IUPAC name of N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine (CID 20596) is N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine.
What is the SMILES notation for N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine?
The canonical SMILES for N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine is CNCCC=C1c2ccccc2CCc2sccc21.
What is the InChIKey of N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine?
The InChIKey is RDBMZAMQBNYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3.
What are the key properties of N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine?
N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine is sourced from PubChem (CID 20596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).