(5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C16H21N5O4S — CID 97396223

About (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97396223) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97396223
• Molecular Formula: C16H21N5O4S
• Molecular Weight: 379.44 g/mol
• Exact Mass: 379.13
• IUPAC Name: (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1
• InChI: InChI=1S/C16H21N5O4S/c1-11-7-18-12(8-17-11)9-19-15(22)14-6-16(25-20-14)4-5-21(10-16)26(23,24)13-2-3-13/h7-8,13H,2-6,9-10H2,1H3,(H,19,22)/t16-/m0/s1
• InChIKey: LKQYSIDEHZMLDZ-INIZCTEOSA-N
• XLogP: 0.11
• TPSA: 113.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.44
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97396223) is (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1.

What is the InChIKey of (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is LKQYSIDEHZMLDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-11-7-18-12(8-17-11)9-19-15(22)14-6-16(25-20-14)4-5-21(10-16)26(23,24)13-2-3-13/h7-8,13H,2-6,9-10H2,1H3,(H,19,22)/t16-/m0/s1.

What are the key properties of (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-cyclopropylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97396223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).