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

C20H24FN5O3S — CID 168751037

About 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

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 (PubChem CID 168751037) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 168751037
• Molecular Formula: C20H24FN5O3S
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.16
• IUPAC Name: 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
• SMILES: [H]N=S(N)(=O)c1c(C(=O)Nc2c3c(c(F)c4c2[C@H](C)CC4)CCC3)nn2c1OCCC2
• InChI: InChI=1S/C20H24FN5O3S/c1-10-6-7-13-14(10)16(12-5-2-4-11(12)15(13)21)24-19(27)17-18(30(22,23)28)20-26(25-17)8-3-9-29-20/h10H,2-9H2,1H3,(H,24,27)(H3,22,23,28)/t10-/m1/s1
• InChIKey: NJHJQPJAOZRXNV-SNVBAGLBSA-N
• XLogP: 2.87
• TPSA: 123.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is [H]N=S(N)(=O)c1c(C(=O)Nc2c3c(c(F)c4c2[C@H](C)CC4)CCC3)nn2c1OCCC2.

What is the InChIKey of 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?

The InChIKey is NJHJQPJAOZRXNV-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c1-10-6-7-13-14(10)16(12-5-2-4-11(12)15(13)21)24-19(27)17-18(30(22,23)28)20-26(25-17)8-3-9-29-20/h10H,2-9H2,1H3,(H,24,27)(H3,22,23,28)/t10-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 433.51 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 168751037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).