N-(2-cyanobutan-2-yl)cyclopropanesulfonamide

C8H14N2O2S — CID 64552412

IUPACN-(2-cyanobutan-2-yl)cyclopropanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H14N2O2S/c1-3-8(2,6-9)10-13(11,12)7-4-5-7/h7,10H,3-5H2,1-2H3
InChIKeyCBZBUSHHNGXBRV-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.76
Rot. Bonds4

About N-(2-cyanobutan-2-yl)cyclopropanesulfonamide

N-(2-cyanobutan-2-yl)cyclopropanesulfonamide (PubChem CID 64552412) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)cyclopropanesulfonamide
PubChem CID64552412
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(2-cyanobutan-2-yl)cyclopropanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H14N2O2S/c1-3-8(2,6-9)10-13(11,12)7-4-5-7/h7,10H,3-5H2,1-2H3
InChIKeyCBZBUSHHNGXBRV-UHFFFAOYSA-N
XLogP0.76
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)cyclopropanesulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)cyclopropanesulfonamide (CID 64552412) is N-(2-cyanobutan-2-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)cyclopropanesulfonamide is CCC(C)(C#N)NS(=O)(=O)C1CC1.
What is the InChIKey of N-(2-cyanobutan-2-yl)cyclopropanesulfonamide?
The InChIKey is CBZBUSHHNGXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-8(2,6-9)10-13(11,12)7-4-5-7/h7,10H,3-5H2,1-2H3.
What are the key properties of N-(2-cyanobutan-2-yl)cyclopropanesulfonamide?
N-(2-cyanobutan-2-yl)cyclopropanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)cyclopropanesulfonamide is sourced from PubChem (CID 64552412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).