2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide

C11H13NO3S — CID 116932296

IUPAC2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESNC(=O)Cc1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C11H13NO3S/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-16(10,14)15/h3-4,6H,1-2,5,7H2,(H2,12,13)
InChIKeySZIBIQYZPSJXTF-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.43
Rot. Bonds2

About 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide

2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide (PubChem CID 116932296) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
PubChem CID116932296
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESNC(=O)Cc1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C11H13NO3S/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-16(10,14)15/h3-4,6H,1-2,5,7H2,(H2,12,13)
InChIKeySZIBIQYZPSJXTF-UHFFFAOYSA-N
XLogP0.43
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110774306
N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774290
N-benzyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774303
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropan-1-amine
CID 116932064
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(3-methylbutyl)acetamide
CID 110774321
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
CID 110774336
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methylamino]acetic acid
CID 115218041
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110774300
N'-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-N'-methylmethanediamine
CID 115225944
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110774353
N-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110787019

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide (CID 116932296) is 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide is NC(=O)Cc1ccc2c(c1)CCCS2(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The InChIKey is SZIBIQYZPSJXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-16(10,14)15/h3-4,6H,1-2,5,7H2,(H2,12,13).
What are the key properties of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide has a molecular weight of 239.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide is sourced from PubChem (CID 116932296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).