N-(2-cyanocyclopentyl)propane-1-sulfonamide

C9H16N2O2S — CID 62963443

IUPACN-(2-cyanocyclopentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2O2S/c1-2-6-14(12,13)11-9-5-3-4-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyUOUWAXUDVMKCBN-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.01
Rot. Bonds4

About N-(2-cyanocyclopentyl)propane-1-sulfonamide

N-(2-cyanocyclopentyl)propane-1-sulfonamide (PubChem CID 62963443) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)propane-1-sulfonamide
PubChem CID62963443
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(2-cyanocyclopentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2O2S/c1-2-6-14(12,13)11-9-5-3-4-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyUOUWAXUDVMKCBN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)propane-1-sulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)propane-1-sulfonamide (CID 62963443) is N-(2-cyanocyclopentyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)propane-1-sulfonamide?
The InChIKey is UOUWAXUDVMKCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-6-14(12,13)11-9-5-3-4-8(9)7-10/h8-9,11H,2-6H2,1H3.
What are the key properties of N-(2-cyanocyclopentyl)propane-1-sulfonamide?
N-(2-cyanocyclopentyl)propane-1-sulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)propane-1-sulfonamide is sourced from PubChem (CID 62963443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).