N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide

C9H15N3O2S2 — CID 107296276

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC1CCSC1
InChIInChI=1S/C9H15N3O2S2/c10-7(15)4-12-9(14)8(13)11-3-6-1-2-16-5-6/h6H,1-5H2,(H2,10,15)(H,11,13)(H,12,14)
InChIKeyUDHHQCUPJQALCY-UHFFFAOYSA-N
MW261.37 g/mol
LogP-0.74
Rot. Bonds4

About N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide (PubChem CID 107296276) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
PubChem CID107296276
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC1CCSC1
InChIInChI=1S/C9H15N3O2S2/c10-7(15)4-12-9(14)8(13)11-3-6-1-2-16-5-6/h6H,1-5H2,(H2,10,15)(H,11,13)(H,12,14)
InChIKeyUDHHQCUPJQALCY-UHFFFAOYSA-N
XLogP-0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide (CID 107296276) is N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide is NC(=S)CNC(=O)C(=O)NCC1CCSC1.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide?
The InChIKey is UDHHQCUPJQALCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c10-7(15)4-12-9(14)8(13)11-3-6-1-2-16-5-6/h6H,1-5H2,(H2,10,15)(H,11,13)(H,12,14).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide has a molecular weight of 261.37 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide is sourced from PubChem (CID 107296276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).