N-butyl-N-(dimethylsulfamoyl)aniline

C12H20N2O2S — CID 3778134

IUPACN-butyl-N-(dimethylsulfamoyl)aniline
SMILESCCCCN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-4-5-11-14(17(15,16)13(2)3)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyXBRDWCLRYCNEDE-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.10
Rot. Bonds6

About N-butyl-N-(dimethylsulfamoyl)aniline

N-butyl-N-(dimethylsulfamoyl)aniline (PubChem CID 3778134) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-butyl-N-(dimethylsulfamoyl)aniline.

Molecular Properties

Compound NameN-butyl-N-(dimethylsulfamoyl)aniline
PubChem CID3778134
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-butyl-N-(dimethylsulfamoyl)aniline
SMILESCCCCN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-4-5-11-14(17(15,16)13(2)3)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyXBRDWCLRYCNEDE-UHFFFAOYSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(dimethylsulfamoyl)aniline?
The IUPAC name of N-butyl-N-(dimethylsulfamoyl)aniline (CID 3778134) is N-butyl-N-(dimethylsulfamoyl)aniline.
What is the SMILES notation for N-butyl-N-(dimethylsulfamoyl)aniline?
The canonical SMILES for N-butyl-N-(dimethylsulfamoyl)aniline is CCCCN(c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of N-butyl-N-(dimethylsulfamoyl)aniline?
The InChIKey is XBRDWCLRYCNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-11-14(17(15,16)13(2)3)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N-butyl-N-(dimethylsulfamoyl)aniline?
N-butyl-N-(dimethylsulfamoyl)aniline has a molecular weight of 256.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(dimethylsulfamoyl)aniline is sourced from PubChem (CID 3778134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).