1-(1,1-dioxothian-4-yl)pyrazol-4-amine

C8H13N3O2S — CID 84734927

IUPAC1-(1,1-dioxothian-4-yl)pyrazol-4-amine
SMILESNc1cnn(C2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C8H13N3O2S/c9-7-5-10-11(6-7)8-1-3-14(12,13)4-2-8/h5-6,8H,1-4,9H2
InChIKeyYXIRDEKWTZAIKV-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.22
Rot. Bonds1

About 1-(1,1-dioxothian-4-yl)pyrazol-4-amine

1-(1,1-dioxothian-4-yl)pyrazol-4-amine (PubChem CID 84734927) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)pyrazol-4-amine
PubChem CID84734927
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-(1,1-dioxothian-4-yl)pyrazol-4-amine
SMILESNc1cnn(C2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C8H13N3O2S/c9-7-5-10-11(6-7)8-1-3-14(12,13)4-2-8/h5-6,8H,1-4,9H2
InChIKeyYXIRDEKWTZAIKV-UHFFFAOYSA-N
XLogP0.22
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(diethylamino)ethyl]-N-(thian-4-yl)pyrazol-4-amine
CID 54866713
1-propyl-N-(thian-4-yl)pyrazol-4-amine
CID 84591792
1-(1-Methylpyrazol-4-yl)iminothiane 1-oxide
CID 137657048
1-[2-(ethanesulfonyl)ethyl]-1H-pyrazol-4-amine
CID 43807774
3-(4-amino-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 137942247
N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide
CID 71994323
N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine
CID 75393034
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-N,1-dimethylpyrazol-4-amine
CID 164635534
N-[1-(difluoromethyl)pyrazol-4-yl]ethanesulfonamide
CID 156508165
1-(1,1-Dioxothiolan-3-yl)pyrazol-4-amine
CID 43531699
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
CID 56793533
N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068759

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)pyrazol-4-amine (CID 84734927) is 1-(1,1-dioxothian-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)pyrazol-4-amine is Nc1cnn(C2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)pyrazol-4-amine?
The InChIKey is YXIRDEKWTZAIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c9-7-5-10-11(6-7)8-1-3-14(12,13)4-2-8/h5-6,8H,1-4,9H2.
What are the key properties of 1-(1,1-dioxothian-4-yl)pyrazol-4-amine?
1-(1,1-dioxothian-4-yl)pyrazol-4-amine has a molecular weight of 215.28 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)pyrazol-4-amine is sourced from PubChem (CID 84734927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).