N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide

C9H18N2O2S — CID 63689725

IUPACN-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-6-9(5,7-10)11-14(12,13)8(2,3)4/h11H,6H2,1-5H3
InChIKeyPJSCSVWYXIZOTC-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.40
Rot. Bonds3

About N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide

N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide (PubChem CID 63689725) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide
PubChem CID63689725
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2S/c1-6-9(5,7-10)11-14(12,13)8(2,3)4/h11H,6H2,1-5H3
InChIKeyPJSCSVWYXIZOTC-UHFFFAOYSA-N
XLogP1.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.40
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)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide (CID 63689725) is N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide is CCC(C)(C#N)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is PJSCSVWYXIZOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-6-9(5,7-10)11-14(12,13)8(2,3)4/h11H,6H2,1-5H3.
What are the key properties of N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide?
N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 1.40, 3 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)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).