N-benzyl-N-(dimethylsulfamoyl)propan-2-amine

C12H20N2O2S — CID 669852

IUPACN-benzyl-N-(dimethylsulfamoyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-11(2)14(17(15,16)13(3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyHYUWDCCCZAIULD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.70
Rot. Bonds5

About N-benzyl-N-(dimethylsulfamoyl)propan-2-amine

N-benzyl-N-(dimethylsulfamoyl)propan-2-amine (PubChem CID 669852) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-benzyl-N-(dimethylsulfamoyl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(dimethylsulfamoyl)propan-2-amine
PubChem CID669852
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-benzyl-N-(dimethylsulfamoyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-11(2)14(17(15,16)13(3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyHYUWDCCCZAIULD-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(dimethylsulfamoyl)propan-2-amine?
The IUPAC name of N-benzyl-N-(dimethylsulfamoyl)propan-2-amine (CID 669852) is N-benzyl-N-(dimethylsulfamoyl)propan-2-amine.
What is the SMILES notation for N-benzyl-N-(dimethylsulfamoyl)propan-2-amine?
The canonical SMILES for N-benzyl-N-(dimethylsulfamoyl)propan-2-amine is CC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of N-benzyl-N-(dimethylsulfamoyl)propan-2-amine?
The InChIKey is HYUWDCCCZAIULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-11(2)14(17(15,16)13(3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3.
What are the key properties of N-benzyl-N-(dimethylsulfamoyl)propan-2-amine?
N-benzyl-N-(dimethylsulfamoyl)propan-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(dimethylsulfamoyl)propan-2-amine is sourced from PubChem (CID 669852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).