2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine

C15H24N2S — CID 10015688

IUPAC2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1cccc(C2CCCCC2)n1
InChIInChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
InChIKeyQPILPLUOWCUQIQ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.78
Rot. Bonds5

About 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine

2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine (PubChem CID 10015688) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine
PubChem CID10015688
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1cccc(C2CCCCC2)n1
InChIInChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
InChIKeyQPILPLUOWCUQIQ-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine (CID 10015688) is 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine is CN(C)CCSc1cccc(C2CCCCC2)n1.
What is the InChIKey of 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine?
The InChIKey is QPILPLUOWCUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine?
2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclohexyl-2-pyridinyl)sulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 10015688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).