[4-(3-methoxypropylsulfamoyl)phenyl]thiourea

C11H17N3O3S2 — CID 169358592

IUPAC[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
SMILESCOCCCNS(=O)(=O)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C11H17N3O3S2/c1-17-8-2-7-13-19(15,16)10-5-3-9(4-6-10)14-11(12)18/h3-6,13H,2,7-8H2,1H3,(H3,12,14,18)
InChIKeyOTHPQEQPSNUZKS-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.66
Rot. Bonds7

About [4-(3-methoxypropylsulfamoyl)phenyl]thiourea

[4-(3-methoxypropylsulfamoyl)phenyl]thiourea (PubChem CID 169358592) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-(3-methoxypropylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
PubChem CID169358592
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
SMILESCOCCCNS(=O)(=O)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C11H17N3O3S2/c1-17-8-2-7-13-19(15,16)10-5-3-9(4-6-10)14-11(12)18/h3-6,13H,2,7-8H2,1H3,(H3,12,14,18)
InChIKeyOTHPQEQPSNUZKS-UHFFFAOYSA-N
XLogP0.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(5-hydroxy-5-methylhexyl)sulfamoyl]phenyl]thiourea
CID 142932247
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 17256718
N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 3160786
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
CID 19680553
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
CID 5031253
3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
N-[4-[(3-methoxypropylcarbamothioylamino)sulfamoyl]phenyl]acetamide
CID 2205179
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypropylsulfamoyl)phenyl]thiourea?
The IUPAC name of [4-(3-methoxypropylsulfamoyl)phenyl]thiourea (CID 169358592) is [4-(3-methoxypropylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for [4-(3-methoxypropylsulfamoyl)phenyl]thiourea?
The canonical SMILES for [4-(3-methoxypropylsulfamoyl)phenyl]thiourea is COCCCNS(=O)(=O)c1ccc(NC(N)=S)cc1.
What is the InChIKey of [4-(3-methoxypropylsulfamoyl)phenyl]thiourea?
The InChIKey is OTHPQEQPSNUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-17-8-2-7-13-19(15,16)10-5-3-9(4-6-10)14-11(12)18/h3-6,13H,2,7-8H2,1H3,(H3,12,14,18).
What are the key properties of [4-(3-methoxypropylsulfamoyl)phenyl]thiourea?
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea has a molecular weight of 303.41 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 169358592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).