N-butan-2-yl-3-(dimethylsulfamoyl)propanamide

C9H20N2O3S — CID 110343264

IUPACN-butan-2-yl-3-(dimethylsulfamoyl)propanamide
SMILESCCC(C)NC(=O)CCS(=O)(=O)N(C)C
InChIInChI=1S/C9H20N2O3S/c1-5-8(2)10-9(12)6-7-15(13,14)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyJLYPXRLEEIEHCJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.18
Rot. Bonds6

About N-butan-2-yl-3-(dimethylsulfamoyl)propanamide

N-butan-2-yl-3-(dimethylsulfamoyl)propanamide (PubChem CID 110343264) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(dimethylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(dimethylsulfamoyl)propanamide
PubChem CID110343264
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-butan-2-yl-3-(dimethylsulfamoyl)propanamide
SMILESCCC(C)NC(=O)CCS(=O)(=O)N(C)C
InChIInChI=1S/C9H20N2O3S/c1-5-8(2)10-9(12)6-7-15(13,14)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyJLYPXRLEEIEHCJ-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(dimethylsulfamoyl)propanamide?
The IUPAC name of N-butan-2-yl-3-(dimethylsulfamoyl)propanamide (CID 110343264) is N-butan-2-yl-3-(dimethylsulfamoyl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(dimethylsulfamoyl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(dimethylsulfamoyl)propanamide is CCC(C)NC(=O)CCS(=O)(=O)N(C)C.
What is the InChIKey of N-butan-2-yl-3-(dimethylsulfamoyl)propanamide?
The InChIKey is JLYPXRLEEIEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-5-8(2)10-9(12)6-7-15(13,14)11(3)4/h8H,5-7H2,1-4H3,(H,10,12).
What are the key properties of N-butan-2-yl-3-(dimethylsulfamoyl)propanamide?
N-butan-2-yl-3-(dimethylsulfamoyl)propanamide has a molecular weight of 236.34 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(dimethylsulfamoyl)propanamide is sourced from PubChem (CID 110343264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).