1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea

C16H25N3O2S2 — CID 8660201

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
SMILESCC1CCC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C16H25N3O2S2/c1-12-7-9-13(10-8-12)17-16(22)18-14-5-4-6-15(11-14)23(20,21)19(2)3/h4-6,11-13H,7-10H2,1-3H3,(H2,17,18,22)
InChIKeyFJYLDBDXKOUKEL-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.80
Rot. Bonds4

About 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea

1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea (PubChem CID 8660201) has the molecular formula C16H25N3O2S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
PubChem CID8660201
Molecular FormulaC16H25N3O2S2
Molecular Weight355.53 g/mol
Exact Mass355.14
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
SMILESCC1CCC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C16H25N3O2S2/c1-12-7-9-13(10-8-12)17-16(22)18-14-5-4-6-15(11-14)23(20,21)19(2)3/h4-6,11-13H,7-10H2,1-3H3,(H2,17,18,22)
InChIKeyFJYLDBDXKOUKEL-UHFFFAOYSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 11914394
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
CID 3626438
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
1-[3-(dimethylamino)propyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4041337
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47032068
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075987
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea (CID 8660201) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea is CC1CCC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea?
The InChIKey is FJYLDBDXKOUKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S2/c1-12-7-9-13(10-8-12)17-16(22)18-14-5-4-6-15(11-14)23(20,21)19(2)3/h4-6,11-13H,7-10H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea has a molecular weight of 355.53 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea is sourced from PubChem (CID 8660201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).