N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide

C11H18N2O4S2 — CID 55151785

IUPACN-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O4S2/c12-8-9-2-1-3-11(9)13-19(16,17)10-4-6-18(14,15)7-5-10/h9-11,13H,1-7H2
InChIKeyLBJPVOVVDPJPHJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.18
Rot. Bonds3

About N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide

N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 55151785) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID55151785
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC NameN-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O4S2/c12-8-9-2-1-3-11(9)13-19(16,17)10-4-6-18(14,15)7-5-10/h9-11,13H,1-7H2
InChIKeyLBJPVOVVDPJPHJ-UHFFFAOYSA-N
XLogP0.18
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide (CID 55151785) is N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide is N#CC1CCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is LBJPVOVVDPJPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c12-8-9-2-1-3-11(9)13-19(16,17)10-4-6-18(14,15)7-5-10/h9-11,13H,1-7H2.
What are the key properties of N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 55151785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).