N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide

C11H13NO3S — CID 51877530

IUPACN-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21
InChIInChI=1S/C11H13NO3S/c1-8(13)12-10-6-7-16(14,15)11-5-3-2-4-9(10)11/h2-5,10H,6-7H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyFVJJKHMQRHXKHT-SNVBAGLBSA-N
MW239.30 g/mol
LogP1.04
Rot. Bonds1

About N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide

N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide (PubChem CID 51877530) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide
PubChem CID51877530
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21
InChIInChI=1S/C11H13NO3S/c1-8(13)12-10-6-7-16(14,15)11-5-3-2-4-9(10)11/h2-5,10H,6-7H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyFVJJKHMQRHXKHT-SNVBAGLBSA-N
XLogP1.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide
CID 29289858
N-[2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162037
N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95383304
2-(4-bromophenyl)sulfanyl-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 55824512
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide
CID 104926644
1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 113491993
N-[1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 42922520
5-chloro-N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]pyrimidine-4-carboxamide
CID 124609054
(4S)-4-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 840171
1,1-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43755058
N-(1,1-dioxothiolan-3-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43757070
1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 112834813

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The IUPAC name of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide (CID 51877530) is N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide.
What is the SMILES notation for N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The canonical SMILES for N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide is CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21.
What is the InChIKey of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The InChIKey is FVJJKHMQRHXKHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8(13)12-10-6-7-16(14,15)11-5-3-2-4-9(10)11/h2-5,10H,6-7H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide has a molecular weight of 239.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide is sourced from PubChem (CID 51877530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).