(3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)

C26H36ClN3O5SU — CID 163613863

About (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)

(3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+) (PubChem CID 163613863) has the molecular formula C26H36ClN3O5SU and a molecular weight of 776.14 g/mol. Its IUPAC name is (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+).

Molecular Properties

• Compound Name: (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)
• PubChem CID: 163613863
• Molecular Formula: C26H36ClN3O5SU
• Molecular Weight: 776.14 g/mol
• Exact Mass: 775.26
• IUPAC Name: (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)
• SMILES: COCCN1CC2CC1CN2[C-]=O.O=S(=O)(c1ccc(Cl)cc1)N1[C@H](CC2CC2)COC[C@@H]1[C-]1CC1.[U+2]
• InChI: InChI=1S/C17H21ClNO3S.C9H15N2O2.U/c18-14-5-7-16(8-6-14)23(20,21)19-15(9-12-1-2-12)10-22-11-17(19)13-3-4-13;1-13-3-2-10-5-9-4-8(10)6-11(9)7-12;/h5-8,12,15,17H,1-4,9-11H2;8-9H,2-6H2,1H3;/q2*-1;+2/t15-,17-;;/m1../s1
• InChIKey: KXFITZNYGYYLGH-FXKISCCRSA-N
• XLogP: 2.72
• TPSA: 79.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	776.14
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)?

The IUPAC name of (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+) (CID 163613863) is (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+).

What is the SMILES notation for (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)?

The canonical SMILES for (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+) is COCCN1CC2CC1CN2[C-]=O.O=S(=O)(c1ccc(Cl)cc1)N1[C@H](CC2CC2)COC[C@@H]1[C-]1CC1.[U+2].

What is the InChIKey of (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)?

The InChIKey is KXFITZNYGYYLGH-FXKISCCRSA-N. The full InChI is InChI=1S/C17H21ClNO3S.C9H15N2O2.U/c18-14-5-7-16(8-6-14)23(20,21)19-15(9-12-1-2-12)10-22-11-17(19)13-3-4-13;1-13-3-2-10-5-9-4-8(10)6-11(9)7-12;/h5-8,12,15,17H,1-4,9-11H2;8-9H,2-6H2,1H3;/q2*-1;+2/t15-,17-;;/m1../s1.

What are the key properties of (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)?

(3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+) has a molecular weight of 776.14 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+) is sourced from PubChem (CID 163613863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).