N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide

C9H10BrNOS2 — CID 130113765

IUPACN-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1Br)CCSC2
InChIInChI=1S/C9H10BrNOS2/c1-5(12)11-9-8(10)6-2-3-13-4-7(6)14-9/h2-4H2,1H3,(H,11,12)
InChIKeyDBHPSRHSIXKGBV-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.26
Rot. Bonds1

About N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide

N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide (PubChem CID 130113765) has the molecular formula C9H10BrNOS2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide
PubChem CID130113765
Molecular FormulaC9H10BrNOS2
Molecular Weight292.22 g/mol
Exact Mass290.94
IUPAC NameN-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1Br)CCSC2
InChIInChI=1S/C9H10BrNOS2/c1-5(12)11-9-8(10)6-2-3-13-4-7(6)14-9/h2-4H2,1H3,(H,11,12)
InChIKeyDBHPSRHSIXKGBV-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2,2-trifluoroacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid
CID 87625682
ethyl 2-(ethoxycarbonylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 15216028
2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69450627
2-[(4-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69445146
N-(3-acetamidophenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 26720406
1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone
CID 63379224
2-acetamido-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 28860773
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone
CID 178016497
N-(2-acetylphenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 46671123
3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran
CID 70888591
2-[(2-nitrophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69447010
N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
CID 10322765

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide?
The IUPAC name of N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide (CID 130113765) is N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide.
What is the SMILES notation for N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide?
The canonical SMILES for N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide is CC(=O)Nc1sc2c(c1Br)CCSC2.
What is the InChIKey of N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide?
The InChIKey is DBHPSRHSIXKGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS2/c1-5(12)11-9-8(10)6-2-3-13-4-7(6)14-9/h2-4H2,1H3,(H,11,12).
What are the key properties of N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide?
N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide has a molecular weight of 292.22 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl)acetamide is sourced from PubChem (CID 130113765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).