(sulfonylamino)sulfanylurea

CH3N3O3S2 — CID 174948359

IUPAC(sulfonylamino)sulfanylurea
SMILESNC(=O)NSN=S(=O)=O
InChIInChI=1S/CH3N3O3S2/c2-1(5)3-8-4-9(6)7/h(H3,2,3,5)
InChIKeyMWCKCPCJUAPXGV-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.72
Rot. Bonds2

About (sulfonylamino)sulfanylurea

(sulfonylamino)sulfanylurea (PubChem CID 174948359) has the molecular formula CH3N3O3S2 and a molecular weight of 169.19 g/mol. Its IUPAC name is (sulfonylamino)sulfanylurea.

Molecular Properties

Compound Name(sulfonylamino)sulfanylurea
PubChem CID174948359
Molecular FormulaCH3N3O3S2
Molecular Weight169.19 g/mol
Exact Mass168.96
IUPAC Name(sulfonylamino)sulfanylurea
SMILESNC(=O)NSN=S(=O)=O
InChIInChI=1S/CH3N3O3S2/c2-1(5)3-8-4-9(6)7/h(H3,2,3,5)
InChIKeyMWCKCPCJUAPXGV-UHFFFAOYSA-N
XLogP-0.72
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (sulfonylamino)sulfanylurea?
The IUPAC name of (sulfonylamino)sulfanylurea (CID 174948359) is (sulfonylamino)sulfanylurea.
What is the SMILES notation for (sulfonylamino)sulfanylurea?
The canonical SMILES for (sulfonylamino)sulfanylurea is NC(=O)NSN=S(=O)=O.
What is the InChIKey of (sulfonylamino)sulfanylurea?
The InChIKey is MWCKCPCJUAPXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N3O3S2/c2-1(5)3-8-4-9(6)7/h(H3,2,3,5).
What are the key properties of (sulfonylamino)sulfanylurea?
(sulfonylamino)sulfanylurea has a molecular weight of 169.19 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfonylamino)sulfanylurea is sourced from PubChem (CID 174948359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).