1-cyano-N,N-diethylbutane-1-sulfonamide

C9H18N2O2S — CID 151396131

IUPAC1-cyano-N,N-diethylbutane-1-sulfonamide
SMILESCCCC(C#N)S(=O)(=O)N(CC)CC
InChIInChI=1S/C9H18N2O2S/c1-4-7-9(8-10)14(12,13)11(5-2)6-3/h9H,4-7H2,1-3H3
InChIKeyOVMMGHNKKFFLLF-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.35
Rot. Bonds6

About 1-cyano-N,N-diethylbutane-1-sulfonamide

1-cyano-N,N-diethylbutane-1-sulfonamide (PubChem CID 151396131) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-cyano-N,N-diethylbutane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N,N-diethylbutane-1-sulfonamide
PubChem CID151396131
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-cyano-N,N-diethylbutane-1-sulfonamide
SMILESCCCC(C#N)S(=O)(=O)N(CC)CC
InChIInChI=1S/C9H18N2O2S/c1-4-7-9(8-10)14(12,13)11(5-2)6-3/h9H,4-7H2,1-3H3
InChIKeyOVMMGHNKKFFLLF-UHFFFAOYSA-N
XLogP1.35
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,N-diethylbutane-1-sulfonamide?
The IUPAC name of 1-cyano-N,N-diethylbutane-1-sulfonamide (CID 151396131) is 1-cyano-N,N-diethylbutane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N,N-diethylbutane-1-sulfonamide?
The canonical SMILES for 1-cyano-N,N-diethylbutane-1-sulfonamide is CCCC(C#N)S(=O)(=O)N(CC)CC.
What is the InChIKey of 1-cyano-N,N-diethylbutane-1-sulfonamide?
The InChIKey is OVMMGHNKKFFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-4-7-9(8-10)14(12,13)11(5-2)6-3/h9H,4-7H2,1-3H3.
What are the key properties of 1-cyano-N,N-diethylbutane-1-sulfonamide?
1-cyano-N,N-diethylbutane-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-diethylbutane-1-sulfonamide is sourced from PubChem (CID 151396131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).