N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NOS — CID 64627349

IUPACN-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1SC1CCOCC1
InChIInChI=1S/C16H23NOS/c1-17-16-14-5-3-2-4-12(14)6-7-15(16)19-13-8-10-18-11-9-13/h2-5,13,15-17H,6-11H2,1H3
InChIKeyJKABHUAERDLVPH-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.17
Rot. Bonds3

About N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64627349) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64627349
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1SC1CCOCC1
InChIInChI=1S/C16H23NOS/c1-17-16-14-5-3-2-4-12(14)6-7-15(16)19-13-8-10-18-11-9-13/h2-5,13,15-17H,6-11H2,1H3
InChIKeyJKABHUAERDLVPH-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236733
N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79333595
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107784280
2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64632008
N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626851
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115384124
2-(2,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613079
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628444
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63725634
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64627349) is N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1SC1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JKABHUAERDLVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17-16-14-5-3-2-4-12(14)6-7-15(16)19-13-8-10-18-11-9-13/h2-5,13,15-17H,6-11H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 277.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64627349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).