[2-(dimethylamino)-5-sulfamoylphenyl]thiourea

C9H14N4O2S2 — CID 169357399

IUPAC[2-(dimethylamino)-5-sulfamoylphenyl]thiourea
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC(N)=S
InChIInChI=1S/C9H14N4O2S2/c1-13(2)8-4-3-6(17(11,14)15)5-7(8)12-9(10)16/h3-5H,1-2H3,(H3,10,12,16)(H2,11,14,15)
InChIKeyMJROJLOQAURCMK-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.06
Rot. Bonds3

About [2-(dimethylamino)-5-sulfamoylphenyl]thiourea

[2-(dimethylamino)-5-sulfamoylphenyl]thiourea (PubChem CID 169357399) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is [2-(dimethylamino)-5-sulfamoylphenyl]thiourea.

Molecular Properties

Compound Name[2-(dimethylamino)-5-sulfamoylphenyl]thiourea
PubChem CID169357399
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name[2-(dimethylamino)-5-sulfamoylphenyl]thiourea
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC(N)=S
InChIInChI=1S/C9H14N4O2S2/c1-13(2)8-4-3-6(17(11,14)15)5-7(8)12-9(10)16/h3-5H,1-2H3,(H3,10,12,16)(H2,11,14,15)
InChIKeyMJROJLOQAURCMK-UHFFFAOYSA-N
XLogP0.06
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(dimethylamino)-5-sulfamoylphenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide
CID 9302673
4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
CID 168559995
(2-methoxy-5-methylsulfonylphenyl)thiourea
CID 87942230
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9302637
3-(carbamothioylamino)-4-fluorobenzenesulfonic acid
CID 169357033
3-(carbamothioylamino)-4-methylbenzenesulfonic acid;naphthalene
CID 88814975
(2,6-dibromo-4-sulfamoylphenyl)thiourea
CID 86202105
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689774
1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
CID 79162786
1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea
CID 4836004

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-5-sulfamoylphenyl]thiourea?
The IUPAC name of [2-(dimethylamino)-5-sulfamoylphenyl]thiourea (CID 169357399) is [2-(dimethylamino)-5-sulfamoylphenyl]thiourea.
What is the SMILES notation for [2-(dimethylamino)-5-sulfamoylphenyl]thiourea?
The canonical SMILES for [2-(dimethylamino)-5-sulfamoylphenyl]thiourea is CN(C)c1ccc(S(N)(=O)=O)cc1NC(N)=S.
What is the InChIKey of [2-(dimethylamino)-5-sulfamoylphenyl]thiourea?
The InChIKey is MJROJLOQAURCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-13(2)8-4-3-6(17(11,14)15)5-7(8)12-9(10)16/h3-5H,1-2H3,(H3,10,12,16)(H2,11,14,15).
What are the key properties of [2-(dimethylamino)-5-sulfamoylphenyl]thiourea?
[2-(dimethylamino)-5-sulfamoylphenyl]thiourea has a molecular weight of 274.37 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-5-sulfamoylphenyl]thiourea is sourced from PubChem (CID 169357399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).