2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine

C15H29NOS — CID 79333806

IUPAC2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine
SMILESNC1CCCCCCCCCCC1SC1COC1
InChIInChI=1S/C15H29NOS/c16-14-9-7-5-3-1-2-4-6-8-10-15(14)18-13-11-17-12-13/h13-15H,1-12,16H2
InChIKeyKNOQKONFOHGBGD-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.73
Rot. Bonds2

About 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine

2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine (PubChem CID 79333806) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine.

Molecular Properties

Compound Name2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine
PubChem CID79333806
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine
SMILESNC1CCCCCCCCCCC1SC1COC1
InChIInChI=1S/C15H29NOS/c16-14-9-7-5-3-1-2-4-6-8-10-15(14)18-13-11-17-12-13/h13-15H,1-12,16H2
InChIKeyKNOQKONFOHGBGD-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine?
The IUPAC name of 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine (CID 79333806) is 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine.
What is the SMILES notation for 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine?
The canonical SMILES for 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine is NC1CCCCCCCCCCC1SC1COC1.
What is the InChIKey of 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine?
The InChIKey is KNOQKONFOHGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c16-14-9-7-5-3-1-2-4-6-8-10-15(14)18-13-11-17-12-13/h13-15H,1-12,16H2.
What are the key properties of 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine?
2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylsulfanyl)cyclododecan-1-amine is sourced from PubChem (CID 79333806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).