3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol

C11H23NOS — CID 79578178

IUPAC3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol
SMILESCC(CCO)SCCC1CCCC1N
InChIInChI=1S/C11H23NOS/c1-9(5-7-13)14-8-6-10-3-2-4-11(10)12/h9-11,13H,2-8,12H2,1H3
InChIKeyOIWJYJDQENNQKV-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.01
Rot. Bonds6

About 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol

3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol (PubChem CID 79578178) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol
PubChem CID79578178
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol
SMILESCC(CCO)SCCC1CCCC1N
InChIInChI=1S/C11H23NOS/c1-9(5-7-13)14-8-6-10-3-2-4-11(10)12/h9-11,13H,2-8,12H2,1H3
InChIKeyOIWJYJDQENNQKV-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol?
The IUPAC name of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol (CID 79578178) is 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol is CC(CCO)SCCC1CCCC1N.
What is the InChIKey of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol?
The InChIKey is OIWJYJDQENNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(5-7-13)14-8-6-10-3-2-4-11(10)12/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol?
3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminocyclopentyl)ethylsulfanyl]butan-1-ol is sourced from PubChem (CID 79578178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).