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

C15H20N2O3S — CID 107842832

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1Cc2ccccc2C1
InChIInChI=1S/C15H20N2O3S/c18-15(9-14-10-21(19,20)6-5-16-14)17-13-7-11-3-1-2-4-12(11)8-13/h1-4,13-14,16H,5-10H2,(H,17,18)
InChIKeyKPNCVZNCOHCIHC-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.05
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 107842832) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID107842832
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NC1Cc2ccccc2C1
InChIInChI=1S/C15H20N2O3S/c18-15(9-14-10-21(19,20)6-5-16-14)17-13-7-11-3-1-2-4-12(11)8-13/h1-4,13-14,16H,5-10H2,(H,17,18)
InChIKeyKPNCVZNCOHCIHC-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520467
N-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519579
1-(1,3-dihydroisoindol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520763
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720
N-(1-acetylpiperidin-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518479
2-pyrrolidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 62306443
N-(2,6-dibromophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107599760
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520515
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 80520122

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 107842832) is N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is KPNCVZNCOHCIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(9-14-10-21(19,20)6-5-16-14)17-13-7-11-3-1-2-4-12(11)8-13/h1-4,13-14,16H,5-10H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 0.05, 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-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 107842832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).