N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide

C9H20N2O3S — CID 146492904

IUPACN-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide
SMILESCC(C)NS(=O)(=O)CCC(C)(C)NC=O
InChIInChI=1S/C9H20N2O3S/c1-8(2)11-15(13,14)6-5-9(3,4)10-7-12/h7-8,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyYQPSKWRLNNEBFZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.23
Rot. Bonds7

About N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide

N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide (PubChem CID 146492904) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide
PubChem CID146492904
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide
SMILESCC(C)NS(=O)(=O)CCC(C)(C)NC=O
InChIInChI=1S/C9H20N2O3S/c1-8(2)11-15(13,14)6-5-9(3,4)10-7-12/h7-8,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyYQPSKWRLNNEBFZ-UHFFFAOYSA-N
XLogP0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide?
The IUPAC name of N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide (CID 146492904) is N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide.
What is the SMILES notation for N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide?
The canonical SMILES for N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide is CC(C)NS(=O)(=O)CCC(C)(C)NC=O.
What is the InChIKey of N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide?
The InChIKey is YQPSKWRLNNEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)11-15(13,14)6-5-9(3,4)10-7-12/h7-8,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide?
N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide has a molecular weight of 236.34 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(propan-2-ylsulfamoyl)butan-2-yl]formamide is sourced from PubChem (CID 146492904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).