2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline

C14H22N2S2 — CID 126813894

IUPAC2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CNCC1CSCCS1
InChIInChI=1S/C14H22N2S2/c1-16(2)14-6-4-3-5-12(14)9-15-10-13-11-17-7-8-18-13/h3-6,13,15H,7-11H2,1-2H3
InChIKeyWZRXHJXIASYVPU-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.69
Rot. Bonds5

About 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline

2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline (PubChem CID 126813894) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline
PubChem CID126813894
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CNCC1CSCCS1
InChIInChI=1S/C14H22N2S2/c1-16(2)14-6-4-3-5-12(14)9-15-10-13-11-17-7-8-18-13/h3-6,13,15H,7-11H2,1-2H3
InChIKeyWZRXHJXIASYVPU-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dithian-2-yl)-N-[(2-ethylphenyl)methyl]methanamine
CID 113489338
N-[(2,3-dimethoxyphenyl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 115685237
1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 113256937
1-[(2R)-1,4-dithian-2-yl]-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 96535964
N-[(2,5-dichlorophenyl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 115762605
4-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-diethylaniline
CID 115696118
1-(1,4-dithian-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 115685290
1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 162544005
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 115777591
1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine
CID 115696098
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 102837618
methyl 2-[5-[(1,4-dithian-2-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 115908102

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline (CID 126813894) is 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline is CN(C)c1ccccc1CNCC1CSCCS1.
What is the InChIKey of 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is WZRXHJXIASYVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-16(2)14-6-4-3-5-12(14)9-15-10-13-11-17-7-8-18-13/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline?
2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 282.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 126813894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).