2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine

C17H23NO2S — CID 135073118

IUPAC2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine
SMILESCCCC#CC(C1CCCCC1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C17H23NO2S/c1-2-3-5-12-16(15-10-6-4-7-11-15)21(19,20)17-13-8-9-14-18-17/h8-9,13-16H,2-4,6-7,10-11H2,1H3
InChIKeyUIZXBWKGZAERSA-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.61
Rot. Bonds4

About 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine

2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine (PubChem CID 135073118) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine.

Molecular Properties

Compound Name2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine
PubChem CID135073118
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine
SMILESCCCC#CC(C1CCCCC1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C17H23NO2S/c1-2-3-5-12-16(15-10-6-4-7-11-15)21(19,20)17-13-8-9-14-18-17/h8-9,13-16H,2-4,6-7,10-11H2,1H3
InChIKeyUIZXBWKGZAERSA-UHFFFAOYSA-N
XLogP3.61
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine?
The IUPAC name of 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine (CID 135073118) is 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine.
What is the SMILES notation for 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine?
The canonical SMILES for 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine is CCCC#CC(C1CCCCC1)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine?
The InChIKey is UIZXBWKGZAERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-2-3-5-12-16(15-10-6-4-7-11-15)21(19,20)17-13-8-9-14-18-17/h8-9,13-16H,2-4,6-7,10-11H2,1H3.
What are the key properties of 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine?
2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine has a molecular weight of 305.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylhex-2-ynylsulfonyl)pyridine is sourced from PubChem (CID 135073118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).