1,1-dioxo-2H-thiopyran-4-amine

C5H7NO2S — CID 22562160

IUPAC1,1-dioxo-2H-thiopyran-4-amine
SMILESNC1=CCS(=O)(=O)C=C1
InChIInChI=1S/C5H7NO2S/c6-5-1-3-9(7,8)4-2-5/h1-3H,4,6H2
InChIKeyWHWXPAAZYWSEFL-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.23
Rot. Bonds

About 1,1-dioxo-2H-thiopyran-4-amine

1,1-dioxo-2H-thiopyran-4-amine (PubChem CID 22562160) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 1,1-dioxo-2H-thiopyran-4-amine.

Molecular Properties

Compound Name1,1-dioxo-2H-thiopyran-4-amine
PubChem CID22562160
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name1,1-dioxo-2H-thiopyran-4-amine
SMILESNC1=CCS(=O)(=O)C=C1
InChIInChI=1S/C5H7NO2S/c6-5-1-3-9(7,8)4-2-5/h1-3H,4,6H2
InChIKeyWHWXPAAZYWSEFL-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Aminothiopyranone
CID 129646338
1,1-Dioxothiophen-3-amine
CID 82017721
3-methyl-2H-thiazine 1,1-dioxide
CID 89687642
(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid
CID 90346906
N-penta-1,3-dien-2-ylethanesulfonamide
CID 90943645
1,1-dioxo-2H-thiopyran-4-amine;hydrochloride
CID 141443371
(3Z)-4-methylsulfonylhexa-1,3,5-trien-3-amine
CID 141879689
(3E)-4-methylsulfonylhexa-1,3,5-trien-2-amine
CID 145243872
3-Sulfinatobenzene-4-id-1-amine;tungsten;vanadium
CID 162450508
3-ethenyl-2H-thiazine 1,1-dioxide
CID 174578942

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2H-thiopyran-4-amine?
The IUPAC name of 1,1-dioxo-2H-thiopyran-4-amine (CID 22562160) is 1,1-dioxo-2H-thiopyran-4-amine.
What is the SMILES notation for 1,1-dioxo-2H-thiopyran-4-amine?
The canonical SMILES for 1,1-dioxo-2H-thiopyran-4-amine is NC1=CCS(=O)(=O)C=C1.
What is the InChIKey of 1,1-dioxo-2H-thiopyran-4-amine?
The InChIKey is WHWXPAAZYWSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c6-5-1-3-9(7,8)4-2-5/h1-3H,4,6H2.
What are the key properties of 1,1-dioxo-2H-thiopyran-4-amine?
1,1-dioxo-2H-thiopyran-4-amine has a molecular weight of 145.18 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2H-thiopyran-4-amine is sourced from PubChem (CID 22562160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).