2-(2-aminocyclododecyl)sulfanylethanol

C14H29NOS — CID 64613777

IUPAC2-(2-aminocyclododecyl)sulfanylethanol
SMILESNC1CCCCCCCCCCC1SCCO
InChIInChI=1S/C14H29NOS/c15-13-9-7-5-3-1-2-4-6-8-10-14(13)17-12-11-16/h13-14,16H,1-12,15H2
InChIKeyYLUHUFAUCAQECC-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-aminocyclododecyl)sulfanylethanol

2-(2-aminocyclododecyl)sulfanylethanol (PubChem CID 64613777) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-(2-aminocyclododecyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-aminocyclododecyl)sulfanylethanol
PubChem CID64613777
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-(2-aminocyclododecyl)sulfanylethanol
SMILESNC1CCCCCCCCCCC1SCCO
InChIInChI=1S/C14H29NOS/c15-13-9-7-5-3-1-2-4-6-8-10-14(13)17-12-11-16/h13-14,16H,1-12,15H2
InChIKeyYLUHUFAUCAQECC-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclododecyl)sulfanylethanol?
The IUPAC name of 2-(2-aminocyclododecyl)sulfanylethanol (CID 64613777) is 2-(2-aminocyclododecyl)sulfanylethanol.
What is the SMILES notation for 2-(2-aminocyclododecyl)sulfanylethanol?
The canonical SMILES for 2-(2-aminocyclododecyl)sulfanylethanol is NC1CCCCCCCCCCC1SCCO.
What is the InChIKey of 2-(2-aminocyclododecyl)sulfanylethanol?
The InChIKey is YLUHUFAUCAQECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c15-13-9-7-5-3-1-2-4-6-8-10-14(13)17-12-11-16/h13-14,16H,1-12,15H2.
What are the key properties of 2-(2-aminocyclododecyl)sulfanylethanol?
2-(2-aminocyclododecyl)sulfanylethanol has a molecular weight of 259.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclododecyl)sulfanylethanol is sourced from PubChem (CID 64613777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).