1-cyclononyl-2-phenylsulfanylazonane

C23H37NS — CID 70505831

IUPAC1-cyclononyl-2-phenylsulfanylazonane
SMILESc1ccc(SC2CCCCCCCN2C2CCCCCCCC2)cc1
InChIInChI=1S/C23H37NS/c1-2-5-10-16-21(15-9-4-1)24-20-14-7-3-6-13-19-23(24)25-22-17-11-8-12-18-22/h8,11-12,17-18,21,23H,1-7,9-10,13-16,19-20H2
InChIKeyINPBTMFHCAJAPA-UHFFFAOYSA-N
MW359.62 g/mol
LogP7.26
Rot. Bonds3

About 1-cyclononyl-2-phenylsulfanylazonane

1-cyclononyl-2-phenylsulfanylazonane (PubChem CID 70505831) has the molecular formula C23H37NS and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-cyclononyl-2-phenylsulfanylazonane.

Molecular Properties

Compound Name1-cyclononyl-2-phenylsulfanylazonane
PubChem CID70505831
Molecular FormulaC23H37NS
Molecular Weight359.62 g/mol
Exact Mass359.26
IUPAC Name1-cyclononyl-2-phenylsulfanylazonane
SMILESc1ccc(SC2CCCCCCCN2C2CCCCCCCC2)cc1
InChIInChI=1S/C23H37NS/c1-2-5-10-16-21(15-9-4-1)24-20-14-7-3-6-13-19-23(24)25-22-17-11-8-12-18-22/h8,11-12,17-18,21,23H,1-7,9-10,13-16,19-20H2
InChIKeyINPBTMFHCAJAPA-UHFFFAOYSA-N
XLogP7.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.62
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclononyl-2-phenylsulfanylazonane?
The IUPAC name of 1-cyclononyl-2-phenylsulfanylazonane (CID 70505831) is 1-cyclononyl-2-phenylsulfanylazonane.
What is the SMILES notation for 1-cyclononyl-2-phenylsulfanylazonane?
The canonical SMILES for 1-cyclononyl-2-phenylsulfanylazonane is c1ccc(SC2CCCCCCCN2C2CCCCCCCC2)cc1.
What is the InChIKey of 1-cyclononyl-2-phenylsulfanylazonane?
The InChIKey is INPBTMFHCAJAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NS/c1-2-5-10-16-21(15-9-4-1)24-20-14-7-3-6-13-19-23(24)25-22-17-11-8-12-18-22/h8,11-12,17-18,21,23H,1-7,9-10,13-16,19-20H2.
What are the key properties of 1-cyclononyl-2-phenylsulfanylazonane?
1-cyclononyl-2-phenylsulfanylazonane has a molecular weight of 359.62 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclononyl-2-phenylsulfanylazonane is sourced from PubChem (CID 70505831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).