3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol

C14H29NOS — CID 66139118

IUPAC3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
SMILESCCNC1CCCCCCC1SC(C)CCO
InChIInChI=1S/C14H29NOS/c1-3-15-13-8-6-4-5-7-9-14(13)17-12(2)10-11-16/h12-16H,3-11H2,1-2H3
InChIKeyQUZFTUSTLJOVOS-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.19
Rot. Bonds6

About 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol

3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol (PubChem CID 66139118) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
PubChem CID66139118
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
SMILESCCNC1CCCCCCC1SC(C)CCO
InChIInChI=1S/C14H29NOS/c1-3-15-13-8-6-4-5-7-9-14(13)17-12(2)10-11-16/h12-16H,3-11H2,1-2H3
InChIKeyQUZFTUSTLJOVOS-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol (CID 66139118) is 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol is CCNC1CCCCCCC1SC(C)CCO.
What is the InChIKey of 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol?
The InChIKey is QUZFTUSTLJOVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-15-13-8-6-4-5-7-9-14(13)17-12(2)10-11-16/h12-16H,3-11H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol?
3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol has a molecular weight of 259.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol is sourced from PubChem (CID 66139118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).