5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile

C11H20N2O2S — CID 28704815

IUPAC5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile
SMILESCC1CCN(S(=O)(=O)CCCCC#N)CC1
InChIInChI=1S/C11H20N2O2S/c1-11-5-8-13(9-6-11)16(14,15)10-4-2-3-7-12/h11H,2-6,8-10H2,1H3
InChIKeySRMILGQXJUMQFE-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.74
Rot. Bonds5

About 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile

5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile (PubChem CID 28704815) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile
PubChem CID28704815
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile
SMILESCC1CCN(S(=O)(=O)CCCCC#N)CC1
InChIInChI=1S/C11H20N2O2S/c1-11-5-8-13(9-6-11)16(14,15)10-4-2-3-7-12/h11H,2-6,8-10H2,1H3
InChIKeySRMILGQXJUMQFE-UHFFFAOYSA-N
XLogP1.74
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile (CID 28704815) is 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile is CC1CCN(S(=O)(=O)CCCCC#N)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile?
The InChIKey is SRMILGQXJUMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11-5-8-13(9-6-11)16(14,15)10-4-2-3-7-12/h11H,2-6,8-10H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile?
5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile has a molecular weight of 244.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonylpentanenitrile is sourced from PubChem (CID 28704815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).