1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea

C10H15N3O2S2 — CID 7991852

IUPAC1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea
SMILESCC(C)NC(=S)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O2S2/c1-7(2)12-10(16)13-8-4-3-5-9(6-8)17(11,14)15/h3-7H,1-2H3,(H2,11,14,15)(H2,12,13,16)
InChIKeyAGQZPMUFIUUIQC-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.03
Rot. Bonds3

About 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea

1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea (PubChem CID 7991852) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea
PubChem CID7991852
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea
SMILESCC(C)NC(=S)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15N3O2S2/c1-7(2)12-10(16)13-8-4-3-5-9(6-8)17(11,14)15/h3-7H,1-2H3,(H2,11,14,15)(H2,12,13,16)
InChIKeyAGQZPMUFIUUIQC-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

1-propyl-3-(3-sulfamoylphenyl)thiourea
CID 8620369
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4850568
1-[4-(difluoromethoxy)phenyl]-3-(3-sulfamoylphenyl)thiourea
CID 4969282
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 39895252
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
(2R)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274940
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937
1-[3-(1-hydroxyethyl)phenyl]-3-propan-2-ylthiourea
CID 134097128
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea?
The IUPAC name of 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea (CID 7991852) is 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea is CC(C)NC(=S)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea?
The InChIKey is AGQZPMUFIUUIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-7(2)12-10(16)13-8-4-3-5-9(6-8)17(11,14)15/h3-7H,1-2H3,(H2,11,14,15)(H2,12,13,16).
What are the key properties of 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea?
1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea has a molecular weight of 273.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea is sourced from PubChem (CID 7991852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).