[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine

C11H15NO2S2 — CID 84805620

IUPAC[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2cc3c(s2)CCS(=O)(=O)C3)CC1
InChIInChI=1S/C11H15NO2S2/c12-7-11(2-3-11)10-5-8-6-16(13,14)4-1-9(8)15-10/h5H,1-4,6-7,12H2
InChIKeyDZHJIBZGTPXGGV-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.21
Rot. Bonds2

About [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine

[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine (PubChem CID 84805620) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine
PubChem CID84805620
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2cc3c(s2)CCS(=O)(=O)C3)CC1
InChIInChI=1S/C11H15NO2S2/c12-7-11(2-3-11)10-5-8-6-16(13,14)4-1-9(8)15-10/h5H,1-4,6-7,12H2
InChIKeyDZHJIBZGTPXGGV-UHFFFAOYSA-N
XLogP1.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine with MolForge

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Related Compounds

1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
CID 84813843
2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 84802884
2-amino-2-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 84803360
[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227528
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine
CID 96770978
5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 75452759
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxylic acid
CID 96794208
[(2S,5R)-2,5-dimethylpiperidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227500
[1-(5-chlorothiophen-2-yl)cyclopentyl]methanamine;hydrochloride
CID 56773690
[1-(1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 82416500
[1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine
CID 117413325
2-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
CID 62651325

Frequently Asked Questions

What is the IUPAC name of [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine (CID 84805620) is [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine is NCC1(c2cc3c(s2)CCS(=O)(=O)C3)CC1.
What is the InChIKey of [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine?
The InChIKey is DZHJIBZGTPXGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c12-7-11(2-3-11)10-5-8-6-16(13,14)4-1-9(8)15-10/h5H,1-4,6-7,12H2.
What are the key properties of [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine?
[1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 84805620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).