2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone

C16H21NOS — CID 116609481

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone
SMILESO=C(CC1CCCc2ccccc21)C1CSCCN1
InChIInChI=1S/C16H21NOS/c18-16(15-11-19-9-8-17-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,15,17H,3,5-6,8-11H2
InChIKeyOPLIXRGSEVMLGW-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.77
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609481) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone
PubChem CID116609481
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone
SMILESO=C(CC1CCCc2ccccc21)C1CSCCN1
InChIInChI=1S/C16H21NOS/c18-16(15-11-19-9-8-17-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,15,17H,3,5-6,8-11H2
InChIKeyOPLIXRGSEVMLGW-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,4S)-4-methylpyrrolidin-2-yl]-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 167540854
1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
CID 82905096
1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116595122
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119936952
1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116584802
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone
CID 55243638
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
CID 116708142
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 64540894
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone (CID 116609481) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone is O=C(CC1CCCc2ccccc21)C1CSCCN1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone?
The InChIKey is OPLIXRGSEVMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(15-11-19-9-8-17-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,15,17H,3,5-6,8-11H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone has a molecular weight of 275.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).