CID 175710616

C₁₇H₂₁KN₅O₃S — CID 175710616

About CID 175710616

CID 175710616 (PubChem CID 175710616) has the molecular formula C₁₇H₂₁KN₅O₃S and a molecular weight of 414.55 g/mol.

Molecular Properties

• Compound Name: CID 175710616
• PubChem CID: 175710616
• Molecular Formula: C₁₇H₂₁KN₅O₃S
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.10
• IUPAC Name: —
• SMILES: CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.[K]
• InChI: InChI=1S/C17H21N5O3S.K/c1-2-22-10-15(19-21-22)26(24,25)20-17(23)18-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16;/h9-10H,2-8H2,1H3,(H2,18,20,23)
• InChIKey: ADNPXCYCYMYNRZ-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of CID 175710616?

The IUPAC name of CID 175710616 (CID 175710616) is not available.

What is the SMILES notation for CID 175710616?

The canonical SMILES for CID 175710616 is CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.[K].

What is the InChIKey of CID 175710616?

The InChIKey is ADNPXCYCYMYNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S.K/c1-2-22-10-15(19-21-22)26(24,25)20-17(23)18-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16;/h9-10H,2-8H2,1H3,(H2,18,20,23);.

What are the key properties of CID 175710616?

CID 175710616 has a molecular weight of 414.55 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 175710616 is sourced from PubChem (CID 175710616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175710616 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.