1-propyl-3-(3-sulfamoylphenyl)thiourea

C10H15N3O2S2 — CID 8620369

IUPAC1-propyl-3-(3-sulfamoylphenyl)thiourea
SMILESCCCNC(=S)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O2S2/c1-2-6-12-10(16)13-8-4-3-5-9(7-8)17(11,14)15/h3-5,7H,2,6H2,1H3,(H2,11,14,15)(H2,12,13,16)
InChIKeyVAEKUDRPNYZCTC-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.03
Rot. Bonds4

About 1-propyl-3-(3-sulfamoylphenyl)thiourea

1-propyl-3-(3-sulfamoylphenyl)thiourea (PubChem CID 8620369) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-propyl-3-(3-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-propyl-3-(3-sulfamoylphenyl)thiourea
PubChem CID8620369
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name1-propyl-3-(3-sulfamoylphenyl)thiourea
SMILESCCCNC(=S)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O2S2/c1-2-6-12-10(16)13-8-4-3-5-9(7-8)17(11,14)15/h3-5,7H,2,6H2,1H3,(H2,11,14,15)(H2,12,13,16)
InChIKeyVAEKUDRPNYZCTC-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(3-sulfamoylphenyl)carbamothioylamino]hexanoate
CID 8620380
1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea
CID 7991852
1-[(4-methoxyphenyl)methyl]-3-(3-sulfamoylphenyl)thiourea
CID 8620377
1-(3-acetylphenyl)-3-propylthiourea
CID 8626664
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3767794
1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4850568
1-decyl-3-(4-sulfamoylphenyl)thiourea
CID 19651236
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
1-(3-cyanophenyl)-3-propylthiourea
CID 7941260
N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide
CID 43316300
1-butyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680401

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(3-sulfamoylphenyl)thiourea?
The IUPAC name of 1-propyl-3-(3-sulfamoylphenyl)thiourea (CID 8620369) is 1-propyl-3-(3-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-propyl-3-(3-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-propyl-3-(3-sulfamoylphenyl)thiourea is CCCNC(=S)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-propyl-3-(3-sulfamoylphenyl)thiourea?
The InChIKey is VAEKUDRPNYZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-2-6-12-10(16)13-8-4-3-5-9(7-8)17(11,14)15/h3-5,7H,2,6H2,1H3,(H2,11,14,15)(H2,12,13,16).
What are the key properties of 1-propyl-3-(3-sulfamoylphenyl)thiourea?
1-propyl-3-(3-sulfamoylphenyl)thiourea has a molecular weight of 273.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(3-sulfamoylphenyl)thiourea is sourced from PubChem (CID 8620369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).