sulfamoylurea

CH5N3O3S — CID 21226411

IUPACsulfamoylurea
SMILESNC(=O)NS(N)(=O)=O
InChIInChI=1S/CH5N3O3S/c2-1(5)4-8(3,6)7/h(H3,2,4,5)(H2,3,6,7)
InChIKeyOJXASOYYODXRPT-UHFFFAOYSA-N
MW139.14 g/mol
LogP-2.14
Rot. Bonds1

About sulfamoylurea

sulfamoylurea (PubChem CID 21226411) has the molecular formula CH5N3O3S and a molecular weight of 139.14 g/mol. Its IUPAC name is sulfamoylurea.

Molecular Properties

Compound Namesulfamoylurea
PubChem CID21226411
Molecular FormulaCH5N3O3S
Molecular Weight139.14 g/mol
Exact Mass139.01
IUPAC Namesulfamoylurea
SMILESNC(=O)NS(N)(=O)=O
InChIInChI=1S/CH5N3O3S/c2-1(5)4-8(3,6)7/h(H3,2,4,5)(H2,3,6,7)
InChIKeyOJXASOYYODXRPT-UHFFFAOYSA-N
XLogP-2.14
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sulfamoylurea?
The IUPAC name of sulfamoylurea (CID 21226411) is sulfamoylurea.
What is the SMILES notation for sulfamoylurea?
The canonical SMILES for sulfamoylurea is NC(=O)NS(N)(=O)=O.
What is the InChIKey of sulfamoylurea?
The InChIKey is OJXASOYYODXRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3O3S/c2-1(5)4-8(3,6)7/h(H3,2,4,5)(H2,3,6,7).
What are the key properties of sulfamoylurea?
sulfamoylurea has a molecular weight of 139.14 g/mol, XLogP of -2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoylurea is sourced from PubChem (CID 21226411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).