(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C8H12N4O3S — CID 43581928

IUPAC(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1[nH]ncc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H12N4O3S/c9-7-6(5-10-11-7)8(13)12-1-3-16(14,15)4-2-12/h5H,1-4H2,(H3,9,10,11)
InChIKeyBIVWRGKAVHBBMO-UHFFFAOYSA-N
MW244.28 g/mol
LogP-1.14
Rot. Bonds1

About (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 43581928) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID43581928
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1[nH]ncc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H12N4O3S/c9-7-6(5-10-11-7)8(13)12-1-3-16(14,15)4-2-12/h5H,1-4H2,(H3,9,10,11)
InChIKeyBIVWRGKAVHBBMO-UHFFFAOYSA-N
XLogP-1.14
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 43581928) is (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1[nH]ncc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is BIVWRGKAVHBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-7-6(5-10-11-7)8(13)12-1-3-16(14,15)4-2-12/h5H,1-4H2,(H3,9,10,11).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 244.28 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 43581928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).