N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide

C10H20N2O2S — CID 55248306

IUPACN-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2S/c1-6-10(7-2,8-11)12-15(13,14)9(3,4)5/h12H,6-7H2,1-5H3
InChIKeyZKCAGBKGGHLSDU-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.79
Rot. Bonds4

About N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide

N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide (PubChem CID 55248306) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide
PubChem CID55248306
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2S/c1-6-10(7-2,8-11)12-15(13,14)9(3,4)5/h12H,6-7H2,1-5H3
InChIKeyZKCAGBKGGHLSDU-UHFFFAOYSA-N
XLogP1.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide (CID 55248306) is N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is ZKCAGBKGGHLSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-6-10(7-2,8-11)12-15(13,14)9(3,4)5/h12H,6-7H2,1-5H3.
What are the key properties of N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide?
N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 55248306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).