N,N-dibutyl-1,1-dicyanomethanesulfonamide

C11H19N3O2S — CID 11193690

IUPACN,N-dibutyl-1,1-dicyanomethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(C#N)C#N
InChIInChI=1S/C11H19N3O2S/c1-3-5-7-14(8-6-4-2)17(15,16)11(9-12)10-13/h11H,3-8H2,1-2H3
InChIKeyUTIOXLFJLUDHPO-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.63
Rot. Bonds8

About N,N-dibutyl-1,1-dicyanomethanesulfonamide

N,N-dibutyl-1,1-dicyanomethanesulfonamide (PubChem CID 11193690) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N,N-dibutyl-1,1-dicyanomethanesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-1,1-dicyanomethanesulfonamide
PubChem CID11193690
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN,N-dibutyl-1,1-dicyanomethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)C(C#N)C#N
InChIInChI=1S/C11H19N3O2S/c1-3-5-7-14(8-6-4-2)17(15,16)11(9-12)10-13/h11H,3-8H2,1-2H3
InChIKeyUTIOXLFJLUDHPO-UHFFFAOYSA-N
XLogP1.63
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1,1-dicyanomethanesulfonamide?
The IUPAC name of N,N-dibutyl-1,1-dicyanomethanesulfonamide (CID 11193690) is N,N-dibutyl-1,1-dicyanomethanesulfonamide.
What is the SMILES notation for N,N-dibutyl-1,1-dicyanomethanesulfonamide?
The canonical SMILES for N,N-dibutyl-1,1-dicyanomethanesulfonamide is CCCCN(CCCC)S(=O)(=O)C(C#N)C#N.
What is the InChIKey of N,N-dibutyl-1,1-dicyanomethanesulfonamide?
The InChIKey is UTIOXLFJLUDHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-5-7-14(8-6-4-2)17(15,16)11(9-12)10-13/h11H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-1,1-dicyanomethanesulfonamide?
N,N-dibutyl-1,1-dicyanomethanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1,1-dicyanomethanesulfonamide is sourced from PubChem (CID 11193690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).