1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea

C15H19N3O2S3 — CID 8658083

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea
SMILESC[C@H](NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1
InChIInChI=1S/C15H19N3O2S3/c1-11(14-8-5-9-22-14)16-15(21)17-12-6-4-7-13(10-12)23(19,20)18(2)3/h4-11H,1-3H3,(H2,16,17,21)/t11-/m0/s1
InChIKeyXJIQLZWLZVVGND-NSHDSACASA-N
MW369.54 g/mol
LogP3.05
Rot. Bonds5

About 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea

1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea (PubChem CID 8658083) has the molecular formula C15H19N3O2S3 and a molecular weight of 369.54 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea
PubChem CID8658083
Molecular FormulaC15H19N3O2S3
Molecular Weight369.54 g/mol
Exact Mass369.06
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea
SMILESC[C@H](NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1
InChIInChI=1S/C15H19N3O2S3/c1-11(14-8-5-9-22-14)16-15(21)17-12-6-4-7-13(10-12)23(19,20)18(2)3/h4-11H,1-3H3,(H2,16,17,21)/t11-/m0/s1
InChIKeyXJIQLZWLZVVGND-NSHDSACASA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2R)-1-hydroxybutan-2-yl]thiourea
CID 7765713
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
CID 3626438
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077
1-[3-(dimethylamino)propyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4041337
1,1-dibutyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8624419

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea (CID 8658083) is 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea is C[C@H](NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccs1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea?
The InChIKey is XJIQLZWLZVVGND-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O2S3/c1-11(14-8-5-9-22-14)16-15(21)17-12-6-4-7-13(10-12)23(19,20)18(2)3/h4-11H,1-3H3,(H2,16,17,21)/t11-/m0/s1.
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea?
1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea has a molecular weight of 369.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea is sourced from PubChem (CID 8658083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).