1-butyl-3-(3-methylbutylsulfonyl)urea

C10H22N2O3S — CID 119094242

IUPAC1-butyl-3-(3-methylbutylsulfonyl)urea
SMILESCCCCNC(=O)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H22N2O3S/c1-4-5-7-11-10(13)12-16(14,15)8-6-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyQYPFOOVCYZCYAC-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.46
Rot. Bonds7

About 1-butyl-3-(3-methylbutylsulfonyl)urea

1-butyl-3-(3-methylbutylsulfonyl)urea (PubChem CID 119094242) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-butyl-3-(3-methylbutylsulfonyl)urea.

Molecular Properties

Compound Name1-butyl-3-(3-methylbutylsulfonyl)urea
PubChem CID119094242
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-butyl-3-(3-methylbutylsulfonyl)urea
SMILESCCCCNC(=O)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H22N2O3S/c1-4-5-7-11-10(13)12-16(14,15)8-6-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyQYPFOOVCYZCYAC-UHFFFAOYSA-N
XLogP1.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(3-methylsulfonylpropyl)urea
CID 115597957
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-[2-(4-aminophenyl)sulfanylethylsulfonyl]-3-butylurea
CID 116645790
1-dodecyl-3-methylsulfonylurea
CID 87913843
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
N-butyl-7-methyloctanamide
CID 154028337
1-butyl-3-octylurea
CID 17269600
1-(butylamino)ethanesulfonic acid
CID 88671365
1-heptan-2-yl-3-(2-methylsulfonylethyl)urea
CID 60603118
1,3-bis(3-methylbutyl)urea
CID 22563958

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-methylbutylsulfonyl)urea?
The IUPAC name of 1-butyl-3-(3-methylbutylsulfonyl)urea (CID 119094242) is 1-butyl-3-(3-methylbutylsulfonyl)urea.
What is the SMILES notation for 1-butyl-3-(3-methylbutylsulfonyl)urea?
The canonical SMILES for 1-butyl-3-(3-methylbutylsulfonyl)urea is CCCCNC(=O)NS(=O)(=O)CCC(C)C.
What is the InChIKey of 1-butyl-3-(3-methylbutylsulfonyl)urea?
The InChIKey is QYPFOOVCYZCYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-5-7-11-10(13)12-16(14,15)8-6-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-butyl-3-(3-methylbutylsulfonyl)urea?
1-butyl-3-(3-methylbutylsulfonyl)urea has a molecular weight of 250.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-methylbutylsulfonyl)urea is sourced from PubChem (CID 119094242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).