(propan-2-ylideneamino)urea;sulfane;urea

C5H15N5O2S — CID 174867107

IUPAC(propan-2-ylideneamino)urea;sulfane;urea
SMILESCC(C)=NNC(N)=O.NC(N)=O.S
InChIInChI=1S/C4H9N3O.CH4N2O.H2S/c1-3(2)6-7-4(5)8;2-1(3)4;/h1-2H3,(H3,5,7,8);(H4,2,3,4);1H2
InChIKeyBQALLBJAIBNQFB-UHFFFAOYSA-N
MW209.28 g/mol
LogP-0.81
Rot. Bonds1

About (propan-2-ylideneamino)urea;sulfane;urea

(propan-2-ylideneamino)urea;sulfane;urea (PubChem CID 174867107) has the molecular formula C5H15N5O2S and a molecular weight of 209.28 g/mol. Its IUPAC name is (propan-2-ylideneamino)urea;sulfane;urea.

Molecular Properties

Compound Name(propan-2-ylideneamino)urea;sulfane;urea
PubChem CID174867107
Molecular FormulaC5H15N5O2S
Molecular Weight209.28 g/mol
Exact Mass209.09
IUPAC Name(propan-2-ylideneamino)urea;sulfane;urea
SMILESCC(C)=NNC(N)=O.NC(N)=O.S
InChIInChI=1S/C4H9N3O.CH4N2O.H2S/c1-3(2)6-7-4(5)8;2-1(3)4;/h1-2H3,(H3,5,7,8);(H4,2,3,4);1H2
InChIKeyBQALLBJAIBNQFB-UHFFFAOYSA-N
XLogP-0.81
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-aminoethylideneamino)urea
CID 85436939
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
(diaminomethylideneamino)urea;hydrochloride
CID 87522234
(3-hydroxyiminobutan-2-ylideneamino)urea
CID 137209965
(1E)-N-(carbamoylamino)ethanimidoyl cyanide
CID 55281069
[2-(carbamoylhydrazinylidene)propylamino]urea
CID 123320381
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea
CID 122235607
2-[(propan-2-ylideneamino)carbamothioylamino]acetamide
CID 131020243
[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea
CID 5380500
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390
(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid
CID 119098074

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino)urea;sulfane;urea?
The IUPAC name of (propan-2-ylideneamino)urea;sulfane;urea (CID 174867107) is (propan-2-ylideneamino)urea;sulfane;urea.
What is the SMILES notation for (propan-2-ylideneamino)urea;sulfane;urea?
The canonical SMILES for (propan-2-ylideneamino)urea;sulfane;urea is CC(C)=NNC(N)=O.NC(N)=O.S.
What is the InChIKey of (propan-2-ylideneamino)urea;sulfane;urea?
The InChIKey is BQALLBJAIBNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O.CH4N2O.H2S/c1-3(2)6-7-4(5)8;2-1(3)4;/h1-2H3,(H3,5,7,8);(H4,2,3,4);1H2.
What are the key properties of (propan-2-ylideneamino)urea;sulfane;urea?
(propan-2-ylideneamino)urea;sulfane;urea has a molecular weight of 209.28 g/mol, XLogP of -0.81, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino)urea;sulfane;urea is sourced from PubChem (CID 174867107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).