1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide

C9H16N2O2S — CID 115766985

IUPAC1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1(C)CCC1
InChIInChI=1S/C9H16N2O2S/c1-3-8(7-10)14(12,13)11-9(2)5-4-6-9/h8,11H,3-6H2,1-2H3
InChIKeyCPXKVAURTMZSSV-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.15
Rot. Bonds4

About 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide

1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide (PubChem CID 115766985) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide
PubChem CID115766985
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1(C)CCC1
InChIInChI=1S/C9H16N2O2S/c1-3-8(7-10)14(12,13)11-9(2)5-4-6-9/h8,11H,3-6H2,1-2H3
InChIKeyCPXKVAURTMZSSV-UHFFFAOYSA-N
XLogP1.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid
CID 79846760
1-cyano-N-(1-methylcyclopentyl)methanesulfonamide
CID 64687445
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 114083935
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
CID 115766969
1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide
CID 103850553
1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
CID 103850424
1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
CID 115766849
1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide
CID 107271483
1-cyano-N-(1-oxothian-4-yl)propane-1-sulfonamide
CID 104600188
1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 112705161
1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302855

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide (CID 115766985) is 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC1(C)CCC1.
What is the InChIKey of 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide?
The InChIKey is CPXKVAURTMZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-8(7-10)14(12,13)11-9(2)5-4-6-9/h8,11H,3-6H2,1-2H3.
What are the key properties of 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide?
1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide is sourced from PubChem (CID 115766985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).