[5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate

C19H23N7O7S — CID 175458481

About [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate

[5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate (PubChem CID 175458481) has the molecular formula C19H23N7O7S and a molecular weight of 493.50 g/mol. Its IUPAC name is [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate.

Molecular Properties

• Compound Name: [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate
• PubChem CID: 175458481
• Molecular Formula: C19H23N7O7S
• Molecular Weight: 493.50 g/mol
• Exact Mass: 493.14
• IUPAC Name: [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate
• SMILES: N#C[C@H](CC1CCCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1ccnn1OC(=O)N=S(=O)=O
• InChI: InChI=1S/C19H23N7O7S/c20-10-13(9-12-2-1-6-21-16(12)27)23-17(28)14(8-11-3-4-11)24-18(29)15-5-7-22-26(15)33-19(30)25-34(31)32/h5,7,11-14H,1-4,6,8-9H2,(H,21,27)(H,23,28)(H,24,29)/t12?,13-,14?/m0/s1
• InChIKey: HEVCIUBVWAWYKX-MOKVOYLWSA-N
• XLogP: -0.68
• TPSA: 201.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.50
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate?

The IUPAC name of [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate (CID 175458481) is [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate.

What is the SMILES notation for [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate?

The canonical SMILES for [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate is N#C[C@H](CC1CCCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1ccnn1OC(=O)N=S(=O)=O.

What is the InChIKey of [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate?

The InChIKey is HEVCIUBVWAWYKX-MOKVOYLWSA-N. The full InChI is InChI=1S/C19H23N7O7S/c20-10-13(9-12-2-1-6-21-16(12)27)23-17(28)14(8-11-3-4-11)24-18(29)15-5-7-22-26(15)33-19(30)25-34(31)32/h5,7,11-14H,1-4,6,8-9H2,(H,21,27)(H,23,28)(H,24,29)/t12?,13-,14?/m0/s1.

What are the key properties of [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate?

[5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate has a molecular weight of 493.50 g/mol, XLogP of -0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamoyl]pyrazol-1-yl] N-sulfonylcarbamate is sourced from PubChem (CID 175458481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).