3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea

C8H15N3O2S — CID 87837606

IUPAC3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea
SMILESC=CCN(S)C(=O)NN1CCOCC1
InChIInChI=1S/C8H15N3O2S/c1-2-3-11(14)8(12)9-10-4-6-13-7-5-10/h2,14H,1,3-7H2,(H,9,12)
InChIKeyUSGYJXNSTPYKRN-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.28
Rot. Bonds3

About 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea

3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea (PubChem CID 87837606) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea.

Molecular Properties

Compound Name3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea
PubChem CID87837606
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea
SMILESC=CCN(S)C(=O)NN1CCOCC1
InChIInChI=1S/C8H15N3O2S/c1-2-3-11(14)8(12)9-10-4-6-13-7-5-10/h2,14H,1,3-7H2,(H,9,12)
InChIKeyUSGYJXNSTPYKRN-UHFFFAOYSA-N
XLogP0.28
TPSA44.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea?
The IUPAC name of 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea (CID 87837606) is 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea.
What is the SMILES notation for 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea?
The canonical SMILES for 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea is C=CCN(S)C(=O)NN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea?
The InChIKey is USGYJXNSTPYKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-3-11(14)8(12)9-10-4-6-13-7-5-10/h2,14H,1,3-7H2,(H,9,12).
What are the key properties of 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea?
3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea has a molecular weight of 217.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea is sourced from PubChem (CID 87837606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).