2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol

C11H23NOS — CID 64613997

IUPAC2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol
SMILESCCNC1CCC(C)CC1SCCO
InChIInChI=1S/C11H23NOS/c1-3-12-10-5-4-9(2)8-11(10)14-7-6-13/h9-13H,3-8H2,1-2H3
InChIKeyBEGIGJSEQYHGNU-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds5

About 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol

2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol (PubChem CID 64613997) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol
PubChem CID64613997
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol
SMILESCCNC1CCC(C)CC1SCCO
InChIInChI=1S/C11H23NOS/c1-3-12-10-5-4-9(2)8-11(10)14-7-6-13/h9-13H,3-8H2,1-2H3
InChIKeyBEGIGJSEQYHGNU-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol?
The IUPAC name of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol (CID 64613997) is 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol?
The canonical SMILES for 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol is CCNC1CCC(C)CC1SCCO.
What is the InChIKey of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol?
The InChIKey is BEGIGJSEQYHGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-12-10-5-4-9(2)8-11(10)14-7-6-13/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol?
2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol has a molecular weight of 217.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanylethanol is sourced from PubChem (CID 64613997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).