1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one

C14H23N3O2S — CID 11150658

IUPAC1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESC=CCN1C(=O)CCN(CCCN2CCOCC2)C1=S
InChIInChI=1S/C14H23N3O2S/c1-2-5-17-13(18)4-8-16(14(17)20)7-3-6-15-9-11-19-12-10-15/h2H,1,3-12H2
InChIKeyBFPCWQKWOYCFFE-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.71
Rot. Bonds6

About 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one

1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one (PubChem CID 11150658) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one
PubChem CID11150658
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESC=CCN1C(=O)CCN(CCCN2CCOCC2)C1=S
InChIInChI=1S/C14H23N3O2S/c1-2-5-17-13(18)4-8-16(14(17)20)7-3-6-15-9-11-19-12-10-15/h2H,1,3-12H2
InChIKeyBFPCWQKWOYCFFE-UHFFFAOYSA-N
XLogP0.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
1-(3-morpholin-4-ylpropyl)piperazin-2-one
CID 57445037
(4S)-4-(3,5-dimethoxyphenyl)-6-(3-morpholin-4-ylpropyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 92951556
4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168688552
6-(3-morpholin-4-ylpropyl)-4-(3-phenoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 3248321
4-oct-7-enylmorpholine
CID 67850758
3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 25246712
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 29257686
(4S)-6-(3-morpholin-4-ylpropyl)-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 92956633
(5E)-3-(3-morpholin-4-ylpropyl)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 93011538
5-(3-morpholin-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7530411
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one (CID 11150658) is 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one is C=CCN1C(=O)CCN(CCCN2CCOCC2)C1=S.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one?
The InChIKey is BFPCWQKWOYCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-5-17-13(18)4-8-16(14(17)20)7-3-6-15-9-11-19-12-10-15/h2H,1,3-12H2.
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one?
1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one has a molecular weight of 297.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one is sourced from PubChem (CID 11150658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).