N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C15H20N2O3S — CID 80520467

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1CCc2ccccc21
InChIInChI=1S/C15H20N2O3S/c18-15(9-12-10-21(19,20)8-7-16-12)17-14-6-5-11-3-1-2-4-13(11)14/h1-4,12,14,16H,5-10H2,(H,17,18)
InChIKeyDJAITZUGYGFBQR-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.57
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80520467) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80520467
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1CCc2ccccc21
InChIInChI=1S/C15H20N2O3S/c18-15(9-12-10-21(19,20)8-7-16-12)17-14-6-5-11-3-1-2-4-13(11)14/h1-4,12,14,16H,5-10H2,(H,17,18)
InChIKeyDJAITZUGYGFBQR-UHFFFAOYSA-N
XLogP0.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107842832
N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519579
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-4-ylacetamide
CID 54910439
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 80519686
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47127977
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210774
1-(1,3-dihydroisoindol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520763
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98303899
N-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-2-ylacetamide
CID 66434176
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 54915639
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80520467) is N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is DJAITZUGYGFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(9-12-10-21(19,20)8-7-16-12)17-14-6-5-11-3-1-2-4-13(11)14/h1-4,12,14,16H,5-10H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80520467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).