7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C16H20N4O4S — CID 118739752

About 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118739752) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 118739752
• Molecular Formula: C16H20N4O4S
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.12
• IUPAC Name: 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(NCc1cccnc1)C1=NOC2(CCN(S(=O)(=O)C3CC3)C2)C1
• InChI: InChI=1S/C16H20N4O4S/c21-15(18-10-12-2-1-6-17-9-12)14-8-16(24-19-14)5-7-20(11-16)25(22,23)13-3-4-13/h1-2,6,9,13H,3-5,7-8,10-11H2,(H,18,21)
• InChIKey: RURUVXNDEMZDGP-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 100.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118739752) is 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1cccnc1)C1=NOC2(CCN(S(=O)(=O)C3CC3)C2)C1.

What is the InChIKey of 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is RURUVXNDEMZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c21-15(18-10-12-2-1-6-17-9-12)14-8-16(24-19-14)5-7-20(11-16)25(22,23)13-3-4-13/h1-2,6,9,13H,3-5,7-8,10-11H2,(H,18,21).

What are the key properties of 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118739752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).