N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide

C11H19N3O2S — CID 60723802

IUPACN-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H19N3O2S/c12-10-11(6-2-1-3-7-11)13-17(15,16)14-8-4-5-9-14/h13H,1-9H2
InChIKeyMIPJJBYIEKHXOS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.14
Rot. Bonds3

About N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide

N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide (PubChem CID 60723802) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide
PubChem CID60723802
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H19N3O2S/c12-10-11(6-2-1-3-7-11)13-17(15,16)14-8-4-5-9-14/h13H,1-9H2
InChIKeyMIPJJBYIEKHXOS-UHFFFAOYSA-N
XLogP1.14
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide (CID 60723802) is N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide is N#CC1(NS(=O)(=O)N2CCCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide?
The InChIKey is MIPJJBYIEKHXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c12-10-11(6-2-1-3-7-11)13-17(15,16)14-8-4-5-9-14/h13H,1-9H2.
What are the key properties of N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide?
N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 60723802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).