2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine

C14H18ClNOS — CID 102647655

IUPAC2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)C1=CCCCO1
InChIInChI=1S/C14H18ClNOS/c1-16-12(13-7-4-5-9-17-13)10-18-14-8-3-2-6-11(14)15/h2-3,6-8,12,16H,4-5,9-10H2,1H3
InChIKeyXQGORZKEAADYOV-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.71
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine

2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (PubChem CID 102647655) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
PubChem CID102647655
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)C1=CCCCO1
InChIInChI=1S/C14H18ClNOS/c1-16-12(13-7-4-5-9-17-13)10-18-14-8-3-2-6-11(14)15/h2-3,6-8,12,16H,4-5,9-10H2,1H3
InChIKeyXQGORZKEAADYOV-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 102647649
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102648745
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 102649497
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 66141148
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 66140362
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
CID 79700594

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (CID 102647655) is 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine is CNC(CSc1ccccc1Cl)C1=CCCCO1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The InChIKey is XQGORZKEAADYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-16-12(13-7-4-5-9-17-13)10-18-14-8-3-2-6-11(14)15/h2-3,6-8,12,16H,4-5,9-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine has a molecular weight of 283.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine is sourced from PubChem (CID 102647655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).