2-(oxan-4-ylsulfanyl)cyclododecan-1-amine

C17H33NOS — CID 64625769

IUPAC2-(oxan-4-ylsulfanyl)cyclododecan-1-amine
SMILESNC1CCCCCCCCCCC1SC1CCOCC1
InChIInChI=1S/C17H33NOS/c18-16-9-7-5-3-1-2-4-6-8-10-17(16)20-15-11-13-19-14-12-15/h15-17H,1-14,18H2
InChIKeyNASKUKQNLLSBAA-UHFFFAOYSA-N
MW299.52 g/mol
LogP4.51
Rot. Bonds2

About 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine

2-(oxan-4-ylsulfanyl)cyclododecan-1-amine (PubChem CID 64625769) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfanyl)cyclododecan-1-amine
PubChem CID64625769
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC Name2-(oxan-4-ylsulfanyl)cyclododecan-1-amine
SMILESNC1CCCCCCCCCCC1SC1CCOCC1
InChIInChI=1S/C17H33NOS/c18-16-9-7-5-3-1-2-4-6-8-10-17(16)20-15-11-13-19-14-12-15/h15-17H,1-14,18H2
InChIKeyNASKUKQNLLSBAA-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine?
The IUPAC name of 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine (CID 64625769) is 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine?
The canonical SMILES for 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine is NC1CCCCCCCCCCC1SC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine?
The InChIKey is NASKUKQNLLSBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c18-16-9-7-5-3-1-2-4-6-8-10-17(16)20-15-11-13-19-14-12-15/h15-17H,1-14,18H2.
What are the key properties of 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine?
2-(oxan-4-ylsulfanyl)cyclododecan-1-amine has a molecular weight of 299.52 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfanyl)cyclododecan-1-amine is sourced from PubChem (CID 64625769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).