1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine

C16H19NS2 — CID 79966450

IUPAC1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)C1CSCCS1
InChIInChI=1S/C16H19NS2/c1-17-16(15-11-18-9-10-19-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-17H,9-11H2,1H3
InChIKeySETMEJUNMDWYOX-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.95
Rot. Bonds3

About 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine

1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine (PubChem CID 79966450) has the molecular formula C16H19NS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
PubChem CID79966450
Molecular FormulaC16H19NS2
Molecular Weight289.47 g/mol
Exact Mass289.10
IUPAC Name1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)C1CSCCS1
InChIInChI=1S/C16H19NS2/c1-17-16(15-11-18-9-10-19-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-17H,9-11H2,1H3
InChIKeySETMEJUNMDWYOX-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine 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

1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143696
1,4-dithian-2-yl(naphthalen-1-yl)methanol
CID 79973039
1-(1,4-dithian-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79966542
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
1-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylmethanamine
CID 79966631
N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627227
1-isoquinolin-4-yl-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621787
1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 79965394
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 64738647
1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 63862559
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine (CID 79966450) is 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine is CNC(c1cccc2ccccc12)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The InChIKey is SETMEJUNMDWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS2/c1-17-16(15-11-18-9-10-19-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-17H,9-11H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine has a molecular weight of 289.47 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 79966450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).