5-cyanopiperidine-3-sulfinamide

C6H11N3OS — CID 134532007

IUPAC5-cyanopiperidine-3-sulfinamide
SMILESN#CC1CNCC(S(N)=O)C1
InChIInChI=1S/C6H11N3OS/c7-2-5-1-6(11(8)10)4-9-3-5/h5-6,9H,1,3-4,8H2
InChIKeyWXCZRGSLADGJDH-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.89
Rot. Bonds1

About 5-cyanopiperidine-3-sulfinamide

5-cyanopiperidine-3-sulfinamide (PubChem CID 134532007) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-cyanopiperidine-3-sulfinamide.

Molecular Properties

Compound Name5-cyanopiperidine-3-sulfinamide
PubChem CID134532007
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name5-cyanopiperidine-3-sulfinamide
SMILESN#CC1CNCC(S(N)=O)C1
InChIInChI=1S/C6H11N3OS/c7-2-5-1-6(11(8)10)4-9-3-5/h5-6,9H,1,3-4,8H2
InChIKeyWXCZRGSLADGJDH-UHFFFAOYSA-N
XLogP-0.89
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyanopiperidine-3-sulfinamide?
The IUPAC name of 5-cyanopiperidine-3-sulfinamide (CID 134532007) is 5-cyanopiperidine-3-sulfinamide.
What is the SMILES notation for 5-cyanopiperidine-3-sulfinamide?
The canonical SMILES for 5-cyanopiperidine-3-sulfinamide is N#CC1CNCC(S(N)=O)C1.
What is the InChIKey of 5-cyanopiperidine-3-sulfinamide?
The InChIKey is WXCZRGSLADGJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-2-5-1-6(11(8)10)4-9-3-5/h5-6,9H,1,3-4,8H2.
What are the key properties of 5-cyanopiperidine-3-sulfinamide?
5-cyanopiperidine-3-sulfinamide has a molecular weight of 173.24 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanopiperidine-3-sulfinamide is sourced from PubChem (CID 134532007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).