2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide

C12H15NO2S — CID 11514209

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide
SMILESNC(=O)CS(=O)C1CCCc2ccccc21
InChIInChI=1S/C12H15NO2S/c13-12(14)8-16(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H2,13,14)
InChIKeyYBPVBTJGDRCRTD-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.30
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide

2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide (PubChem CID 11514209) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide
PubChem CID11514209
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide
SMILESNC(=O)CS(=O)C1CCCc2ccccc21
InChIInChI=1S/C12H15NO2S/c13-12(14)8-16(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H2,13,14)
InChIKeyYBPVBTJGDRCRTD-UHFFFAOYSA-N
XLogP1.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydronaphthalene-1-sulfinate
CID 68909659
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propanoic acid
CID 63771127
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116595122
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111695405
1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116584802
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide (CID 11514209) is 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide is NC(=O)CS(=O)C1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide?
The InChIKey is YBPVBTJGDRCRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c13-12(14)8-16(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H2,13,14).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide?
2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide has a molecular weight of 237.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide is sourced from PubChem (CID 11514209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).