(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide

C15H25N5O3S — CID 124802522

About (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide

(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide (PubChem CID 124802522) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide.

Molecular Properties

• Compound Name: (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
• PubChem CID: 124802522
• Molecular Formula: C15H25N5O3S
• Molecular Weight: 355.46 g/mol
• Exact Mass: 355.17
• IUPAC Name: (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
• SMILES: Cc1cnc(NCC[C@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)nc1
• InChI: InChI=1S/C15H25N5O3S/c1-12-8-17-14(18-9-12)16-6-4-13-5-7-23-15(13)10-20(11-15)24(21,22)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,16,17,18)/t13-/m0/s1
• InChIKey: PEGVKYGOUSKXNU-ZDUSSCGKSA-N
• XLogP: 0.48
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.46
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?

The IUPAC name of (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide (CID 124802522) is (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide.

What is the SMILES notation for (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?

The canonical SMILES for (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide is Cc1cnc(NCC[C@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)nc1.

What is the InChIKey of (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?

The InChIKey is PEGVKYGOUSKXNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-12-8-17-14(18-9-12)16-6-4-13-5-7-23-15(13)10-20(11-15)24(21,22)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,16,17,18)/t13-/m0/s1.

What are the key properties of (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?

(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide is sourced from PubChem (CID 124802522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).