2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C23H38N6O3S — CID 165090137

About 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 165090137) has the molecular formula C23H38N6O3S and a molecular weight of 478.66 g/mol. Its IUPAC name is 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

• Compound Name: 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• PubChem CID: 165090137
• Molecular Formula: C23H38N6O3S
• Molecular Weight: 478.66 g/mol
• Exact Mass: 478.27
• IUPAC Name: 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• SMILES: NCCN1CCC1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCCN1CCC1
• InChI: InChI=1S/C18H26N4O3S.C5H12N2/c23-18(21-26(24,25)19-8-11-22-9-3-10-22)20-17-15-6-1-4-13(15)12-14-5-2-7-16(14)17;6-2-5-7-3-1-4-7/h12,19H,1-11H2,(H2,20,21,23);1-6H2
• InChIKey: WOCDJYNMUBNPCA-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 119.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.66
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The IUPAC name of 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 165090137) is 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

What is the SMILES notation for 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The canonical SMILES for 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is NCCN1CCC1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCCN1CCC1.

What is the InChIKey of 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The InChIKey is WOCDJYNMUBNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S.C5H12N2/c23-18(21-26(24,25)19-8-11-22-9-3-10-22)20-17-15-6-1-4-13(15)12-14-5-2-7-16(14)17;6-2-5-7-3-1-4-7/h12,19H,1-11H2,(H2,20,21,23);1-6H2.

What are the key properties of 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 478.66 g/mol, XLogP of 0.98, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 165090137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).