3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea

C17H23N3O3S2 — CID 3942094

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-3-9-19(10-4-2)17(24)18-15-5-7-16(8-6-15)25(21,22)20-11-13-23-14-12-20/h3-8H,1-2,9-14H2,(H,18,24)
InChIKeyHUNFUVFTDUCBME-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.08
Rot. Bonds7

About 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea

3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea (PubChem CID 3942094) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea
PubChem CID3942094
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-3-9-19(10-4-2)17(24)18-15-5-7-16(8-6-15)25(21,22)20-11-13-23-14-12-20/h3-8H,1-2,9-14H2,(H,18,24)
InChIKeyHUNFUVFTDUCBME-UHFFFAOYSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
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

1-(2-hydroxyethyl)-1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 23993998
N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
CID 3220629
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23940437
1-ethyl-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23880704
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-1-propan-2-ylthiourea
CID 2421734
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
CID 2144801
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
1-(2-cyanoethyl)-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23936637
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271594
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea (CID 3942094) is 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea is C=CCN(CC=C)C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea?
The InChIKey is HUNFUVFTDUCBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-3-9-19(10-4-2)17(24)18-15-5-7-16(8-6-15)25(21,22)20-11-13-23-14-12-20/h3-8H,1-2,9-14H2,(H,18,24).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea?
3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea has a molecular weight of 381.52 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea is sourced from PubChem (CID 3942094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).