3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C19H23N5O3S — CID 175814593

IUPAC3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILES[H]N=S(N)(=O)c1c(C(N)=O)nn2c1OC(c1c3c(cc4c1CCC4)CCC3)CC2
InChIInChI=1S/C19H23N5O3S/c20-18(25)16-17(28(21,22)26)19-24(23-16)8-7-14(27-19)15-12-5-1-3-10(12)9-11-4-2-6-13(11)15/h9,14H,1-8H2,(H2,20,25)(H3,21,22,26)
InChIKeyKDUMCUSKGWSELB-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.76
Rot. Bonds3

About 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 175814593) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID175814593
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILES[H]N=S(N)(=O)c1c(C(N)=O)nn2c1OC(c1c3c(cc4c1CCC4)CCC3)CC2
InChIInChI=1S/C19H23N5O3S/c20-18(25)16-17(28(21,22)26)19-24(23-16)8-7-14(27-19)15-12-5-1-3-10(12)9-11-4-2-6-13(11)15/h9,14H,1-8H2,(H2,20,25)(H3,21,22,26)
InChIKeyKDUMCUSKGWSELB-UHFFFAOYSA-N
XLogP1.76
TPSA137.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

3-(aminosulfonimidoyl)-N-(3-cyano-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 175814605
3-(aminosulfonimidoyl)-N-[(3R)-3-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 168751077
3-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 175814658
3-(aminosulfonimidoyl)-N-[(3R)-8-fluoro-3-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 168751037
7-(aminosulfonimidoyl)-N-[(3R)-3-(methoxymethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 168750947
7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 175814500
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-sulfamoylpiperidine-1-carboxamide
CID 166542156
1-[amino-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-λ6-sulfanylidene]-3-[(3S)-3-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
CID 156755512
1-[amino-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-λ6-sulfanylidene]-3-[(4S)-4-methyl-2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl]urea
CID 165369720
3-(aminosulfonimidoyl)-N-[(2R)-2,8-difluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 168750923
7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 168751130
1-[amino-oxo-(5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepin-3-yl)-λ6-sulfanylidene]-3-(1,2,3,6,7,8-hexahydro-as-indacen-4-yl)urea
CID 146611078

Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 175814593) is 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is [H]N=S(N)(=O)c1c(C(N)=O)nn2c1OC(c1c3c(cc4c1CCC4)CCC3)CC2.
What is the InChIKey of 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is KDUMCUSKGWSELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c20-18(25)16-17(28(21,22)26)19-24(23-16)8-7-14(27-19)15-12-5-1-3-10(12)9-11-4-2-6-13(11)15/h9,14H,1-8H2,(H2,20,25)(H3,21,22,26).
What are the key properties of 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 175814593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).