N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide

C10H19N3O2S — CID 61122127

IUPACN-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19N3O2S/c1-3-10(4-2,9-11)12-16(14,15)13-7-5-6-8-13/h12H,3-8H2,1-2H3
InChIKeyLAZJSWHRNPICPL-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.00
Rot. Bonds5

About N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide

N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide (PubChem CID 61122127) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide
PubChem CID61122127
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19N3O2S/c1-3-10(4-2,9-11)12-16(14,15)13-7-5-6-8-13/h12H,3-8H2,1-2H3
InChIKeyLAZJSWHRNPICPL-UHFFFAOYSA-N
XLogP1.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.00
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)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide (CID 61122127) is N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide?
The InChIKey is LAZJSWHRNPICPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-10(4-2,9-11)12-16(14,15)13-7-5-6-8-13/h12H,3-8H2,1-2H3.
What are the key properties of N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide?
N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.00, 5 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61122127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).