N-(1-cyanobutyl)ethanesulfonamide

C7H14N2O2S — CID 61125057

IUPACN-(1-cyanobutyl)ethanesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)CC
InChIInChI=1S/C7H14N2O2S/c1-3-5-7(6-8)9-12(10,11)4-2/h7,9H,3-5H2,1-2H3
InChIKeyYMPKZNRNYCLGGW-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.62
Rot. Bonds5

About N-(1-cyanobutyl)ethanesulfonamide

N-(1-cyanobutyl)ethanesulfonamide (PubChem CID 61125057) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(1-cyanobutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)ethanesulfonamide
PubChem CID61125057
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(1-cyanobutyl)ethanesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)CC
InChIInChI=1S/C7H14N2O2S/c1-3-5-7(6-8)9-12(10,11)4-2/h7,9H,3-5H2,1-2H3
InChIKeyYMPKZNRNYCLGGW-UHFFFAOYSA-N
XLogP0.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-methylbutane-1-sulfonamide
CID 71699857
N-propylcyanomethanesulfonamide
CID 61791963
N-(1-cyanobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059079
N-(1-cyanobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059254
N-(2-cyanoethyl)butane-1-sulfonamide
CID 10058355
[(2R)-1-cyanobutan-2-yl]azanium;methanesulfonate
CID 11435489
2-cyano-N-ethylethanesulfonamide
CID 13418378
2-Amino-N-(propan-2-yl)ethane-1-sulfonamide
CID 16788721
2-Aminopentanenitrile;methanesulfonic acid
CID 22045930
4-Amino-5-cyanopentane-1-sulfonic acid
CID 23064918
2-amino-N-ethylpropane-1-sulfonamide
CID 23077369
N-butyl-1-cyanomethanesulfonamide
CID 61792554

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)ethanesulfonamide?
The IUPAC name of N-(1-cyanobutyl)ethanesulfonamide (CID 61125057) is N-(1-cyanobutyl)ethanesulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)ethanesulfonamide?
The canonical SMILES for N-(1-cyanobutyl)ethanesulfonamide is CCCC(C#N)NS(=O)(=O)CC.
What is the InChIKey of N-(1-cyanobutyl)ethanesulfonamide?
The InChIKey is YMPKZNRNYCLGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-3-5-7(6-8)9-12(10,11)4-2/h7,9H,3-5H2,1-2H3.
What are the key properties of N-(1-cyanobutyl)ethanesulfonamide?
N-(1-cyanobutyl)ethanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)ethanesulfonamide is sourced from PubChem (CID 61125057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).