N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine

C14H27NOS — CID 64626759

IUPACN-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine
SMILESCNC1CCCCCCC1SC1CCOCC1
InChIInChI=1S/C14H27NOS/c1-15-13-6-4-2-3-5-7-14(13)17-12-8-10-16-11-9-12/h12-15H,2-11H2,1H3
InChIKeyNJGGIPINJKPMOI-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.21
Rot. Bonds3

About N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine

N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine (PubChem CID 64626759) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine
PubChem CID64626759
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine
SMILESCNC1CCCCCCC1SC1CCOCC1
InChIInChI=1S/C14H27NOS/c1-15-13-6-4-2-3-5-7-14(13)17-12-8-10-16-11-9-12/h12-15H,2-11H2,1H3
InChIKeyNJGGIPINJKPMOI-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxan-4-ylsulfanyl)ethyl]heptan-2-amine
CID 55141122
2-[2-(2-Methoxyethylsulfanyl)ethyl]piperidine
CID 61683833
4-(oxan-4-ylsulfanyl)-N-propan-2-ylbutan-1-amine
CID 62989280
N-[2-(oxan-4-ylsulfanyl)ethyl]pentan-2-amine
CID 62989466
N-[2-(oxan-4-ylsulfanyl)ethyl]pentan-1-amine
CID 62989640
N-[2-(oxan-4-ylsulfanyl)ethyl]hexan-1-amine
CID 62989641
N-[2-(oxan-4-ylsulfanyl)ethyl]pentan-3-amine
CID 62989645
2-[3-(Oxan-4-ylsulfanyl)propyl]pyrrolidine
CID 62990689
N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexanamine
CID 62990713
2-[2-(Oxan-4-ylsulfanyl)ethyl]piperidine
CID 62990873
N-[2-(oxan-4-ylsulfanyl)ethyl]cycloheptanamine
CID 62991067
N-[2-(oxan-4-ylsulfanyl)ethyl]butan-2-amine
CID 62991070

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine?
The IUPAC name of N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine (CID 64626759) is N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine.
What is the SMILES notation for N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine?
The canonical SMILES for N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine is CNC1CCCCCCC1SC1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine?
The InChIKey is NJGGIPINJKPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-15-13-6-4-2-3-5-7-14(13)17-12-8-10-16-11-9-12/h12-15H,2-11H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine?
N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine has a molecular weight of 257.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-ylsulfanyl)cyclooctan-1-amine is sourced from PubChem (CID 64626759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).