1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide

C17H24N6O2S — CID 78324434

About 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide

1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide (PubChem CID 78324434) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide
• PubChem CID: 78324434
• Molecular Formula: C17H24N6O2S
• Molecular Weight: 376.49 g/mol
• Exact Mass: 376.17
• IUPAC Name: 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide
• SMILES: CN(c1ncnc2[nH]ccc12)C1CC(NS(=O)(=O)C2CN(C3CC3)C2)C1
• InChI: InChI=1S/C17H24N6O2S/c1-22(17-15-4-5-18-16(15)19-10-20-17)13-6-11(7-13)21-26(24,25)14-8-23(9-14)12-2-3-12/h4-5,10-14,21H,2-3,6-9H2,1H3,(H,18,19,20)
• InChIKey: YDNLORWGBHLJEZ-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.49
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide?

The IUPAC name of 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide (CID 78324434) is 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide.

What is the SMILES notation for 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide?

The canonical SMILES for 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide is CN(c1ncnc2[nH]ccc12)C1CC(NS(=O)(=O)C2CN(C3CC3)C2)C1.

What is the InChIKey of 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide?

The InChIKey is YDNLORWGBHLJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-22(17-15-4-5-18-16(15)19-10-20-17)13-6-11(7-13)21-26(24,25)14-8-23(9-14)12-2-3-12/h4-5,10-14,21H,2-3,6-9H2,1H3,(H,18,19,20).

What are the key properties of 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide?

1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide has a molecular weight of 376.49 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide is sourced from PubChem (CID 78324434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).