N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine

C17H22N2S — CID 106444807

IUPACN-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)C1CSCCN1C
InChIInChI=1S/C17H22N2S/c1-18-17(16-12-20-11-10-19(16)2)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-18H,10-12H2,1-2H3
InChIKeyRILQZGQFDUSZAR-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.15
Rot. Bonds3

About N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine

N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine (PubChem CID 106444807) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
PubChem CID106444807
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)C1CSCCN1C
InChIInChI=1S/C17H22N2S/c1-18-17(16-12-20-11-10-19(16)2)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-18H,10-12H2,1-2H3
InChIKeyRILQZGQFDUSZAR-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
N-[isoquinolin-5-yl-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445253
1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79966450
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824
1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444731
N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444780
1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444894
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
CID 106445061
N-[(2-fluoro-3-methoxyphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445454

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine (CID 106444807) is N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine is CNC(c1cccc2ccccc12)C1CSCCN1C.
What is the InChIKey of N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine?
The InChIKey is RILQZGQFDUSZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-18-17(16-12-20-11-10-19(16)2)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-18H,10-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine?
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine has a molecular weight of 286.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 106444807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).