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

C16H20N2S — CID 106444468

IUPAC(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
SMILESCN1CCSCC1C(N)c1cccc2ccccc12
InChIInChI=1S/C16H20N2S/c1-18-9-10-19-11-15(18)16(17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-16H,9-11,17H2,1H3
InChIKeyKYKKQVNZRSEAGA-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.89
Rot. Bonds2

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

(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine (PubChem CID 106444468) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
PubChem CID106444468
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
SMILESCN1CCSCC1C(N)c1cccc2ccccc12
InChIInChI=1S/C16H20N2S/c1-18-9-10-19-11-15(18)16(17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-16H,9-11,17H2,1H3
InChIKeyKYKKQVNZRSEAGA-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444597
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
N-[isoquinolin-5-yl-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445253
(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 103595870
(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444388
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894

Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine?
The IUPAC name of (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine (CID 106444468) is (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine is CN1CCSCC1C(N)c1cccc2ccccc12.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine?
The InChIKey is KYKKQVNZRSEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-18-9-10-19-11-15(18)16(17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-16H,9-11,17H2,1H3.
What are the key properties of (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine?
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine has a molecular weight of 272.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine is sourced from PubChem (CID 106444468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).