N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide

C15H22N2O2S — CID 80686247

IUPACN-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-4-15(5-2,12-16)17-20(18,19)11-13(3)14-9-7-6-8-10-14/h6-10,13,17H,4-5,11H2,1-3H3
InChIKeyDXBOBLYAHDNKAI-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.79
Rot. Bonds7

About N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide

N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686247) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
PubChem CID80686247
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-4-15(5-2,12-16)17-20(18,19)11-13(3)14-9-7-6-8-10-14/h6-10,13,17H,4-5,11H2,1-3H3
InChIKeyDXBOBLYAHDNKAI-UHFFFAOYSA-N
XLogP2.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686692
2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
CID 80688313
N-ethoxy-2-phenylpropane-1-sulfonamide
CID 80686317
N'-hydroxy-2-methyl-2-(2-phenylpropylsulfonylamino)propanimidamide
CID 80686938
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide (CID 80686247) is N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide?
The InChIKey is DXBOBLYAHDNKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-15(5-2,12-16)17-20(18,19)11-13(3)14-9-7-6-8-10-14/h6-10,13,17H,4-5,11H2,1-3H3.
What are the key properties of N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide?
N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.79, 7 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-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).