(S-amino-N-isocyanosulfonimidoyl)methane

C2H5N3OS — CID 176646728

About (S-amino-N-isocyanosulfonimidoyl)methane

(S-amino-N-isocyanosulfonimidoyl)methane (PubChem CID 176646728) has the molecular formula C2H5N3OS and a molecular weight of 119.15 g/mol. Its IUPAC name is (S-amino-N-isocyanosulfonimidoyl)methane.

Molecular Properties

• Compound Name: (S-amino-N-isocyanosulfonimidoyl)methane
• PubChem CID: 176646728
• Molecular Formula: C2H5N3OS
• Molecular Weight: 119.15 g/mol
• Exact Mass: 119.02
• IUPAC Name: (S-amino-N-isocyanosulfonimidoyl)methane
• SMILES: [C-]#[N+]N=S(C)(N)=O
• InChI: InChI=1S/C2H5N3OS/c1-4-5-7(2,3)6/h2H3,(H2,3,5,6)
• InChIKey: AZHYXYDZQWAAPE-UHFFFAOYSA-N
• XLogP: -0.21
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	119.15
LogP ≤ 5	-0.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (S-amino-N-isocyanosulfonimidoyl)methane?

The IUPAC name of (S-amino-N-isocyanosulfonimidoyl)methane (CID 176646728) is (S-amino-N-isocyanosulfonimidoyl)methane.

What is the SMILES notation for (S-amino-N-isocyanosulfonimidoyl)methane?

The canonical SMILES for (S-amino-N-isocyanosulfonimidoyl)methane is [C-]#[N+]N=S(C)(N)=O.

What is the InChIKey of (S-amino-N-isocyanosulfonimidoyl)methane?

The InChIKey is AZHYXYDZQWAAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3OS/c1-4-5-7(2,3)6/h2H3,(H2,3,5,6).

What are the key properties of (S-amino-N-isocyanosulfonimidoyl)methane?

(S-amino-N-isocyanosulfonimidoyl)methane has a molecular weight of 119.15 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (S-amino-N-isocyanosulfonimidoyl)methane is sourced from PubChem (CID 176646728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).