3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea

C15H21N3O2S2 — CID 8624470

IUPAC3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H21N3O2S2/c1-5-10-18(11-6-2)15(21)16-13-8-7-9-14(12-13)22(19,20)17(3)4/h5-9,12H,1-2,10-11H2,3-4H3,(H,16,21)
InChIKeyMTSIEDJXUCCJAJ-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.31
Rot. Bonds7

About 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea

3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea (PubChem CID 8624470) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea.

Molecular Properties

Compound Name3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea
PubChem CID8624470
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H21N3O2S2/c1-5-10-18(11-6-2)15(21)16-13-8-7-9-14(12-13)22(19,20)17(3)4/h5-9,12H,1-2,10-11H2,3-4H3,(H,16,21)
InChIKeyMTSIEDJXUCCJAJ-UHFFFAOYSA-N
XLogP2.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,1-dibutyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8624419
3-[3-(dimethylsulfamoyl)phenyl]-1-ethyl-1-(2-methylprop-2-enyl)thiourea
CID 8617303
3-[3-(dimethylsulfamoyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylthiourea
CID 8680921
1-benzyl-3-[3-(dimethylsulfamoyl)phenyl]-1-(2-methoxyethyl)thiourea
CID 8680878
1-benzhydryl-3-[3-(dimethylsulfamoyl)phenyl]-1-methylthiourea
CID 42994753
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 24661139
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
CID 3626438
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea?
The IUPAC name of 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea (CID 8624470) is 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea.
What is the SMILES notation for 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea?
The canonical SMILES for 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea is C=CCN(CC=C)C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea?
The InChIKey is MTSIEDJXUCCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-5-10-18(11-6-2)15(21)16-13-8-7-9-14(12-13)22(19,20)17(3)4/h5-9,12H,1-2,10-11H2,3-4H3,(H,16,21).
What are the key properties of 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea?
3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea has a molecular weight of 339.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea is sourced from PubChem (CID 8624470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).