1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea

C10H16N2O3S2 — CID 13203354

IUPAC1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1sccc1C
InChIInChI=1S/C10H16N2O3S2/c1-3-4-6-11-10(13)12-17(14,15)9-8(2)5-7-16-9/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyPMQYARMUGBGTGA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds5

About 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea

1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea (PubChem CID 13203354) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea
PubChem CID13203354
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1sccc1C
InChIInChI=1S/C10H16N2O3S2/c1-3-4-6-11-10(13)12-17(14,15)9-8(2)5-7-16-9/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyPMQYARMUGBGTGA-UHFFFAOYSA-N
XLogP1.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(2-methylsulfonylthiophen-3-yl)sulfonylurea
CID 13322004
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
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1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
1-butyl-3-naphthalen-1-ylsulfonylurea
CID 125482961
1-butyl-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
CID 3069822
1-(5-amino-2-chloro-4-methylphenyl)sulfonyl-3-butylurea
CID 116645763
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
1-butyl-3-[2-(dimethylsulfamoyl)phenyl]sulfonylurea
CID 19966722
N-butyl-3-methyl-N-propylthiophene-2-sulfonamide
CID 66929902
1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
CID 116645811
1-(4-amino-3-bromophenyl)sulfonyl-3-butylurea
CID 116645809

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea?
The IUPAC name of 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea (CID 13203354) is 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea is CCCCNC(=O)NS(=O)(=O)c1sccc1C.
What is the InChIKey of 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea?
The InChIKey is PMQYARMUGBGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-3-4-6-11-10(13)12-17(14,15)9-8(2)5-7-16-9/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea?
1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea has a molecular weight of 276.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 13203354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).