3-cyclohexylsulfanyl-2-ethoxypropan-1-amine

C11H23NOS — CID 63071606

IUPAC3-cyclohexylsulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSC1CCCCC1
InChIInChI=1S/C11H23NOS/c1-2-13-10(8-12)9-14-11-6-4-3-5-7-11/h10-11H,2-9,12H2,1H3
InChIKeyIFZAGGISERHADF-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.42
Rot. Bonds6

About 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine

3-cyclohexylsulfanyl-2-ethoxypropan-1-amine (PubChem CID 63071606) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-2-ethoxypropan-1-amine
PubChem CID63071606
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-cyclohexylsulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSC1CCCCC1
InChIInChI=1S/C11H23NOS/c1-2-13-10(8-12)9-14-11-6-4-3-5-7-11/h10-11H,2-9,12H2,1H3
InChIKeyIFZAGGISERHADF-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine (CID 63071606) is 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine is CCOC(CN)CSC1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine?
The InChIKey is IFZAGGISERHADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-13-10(8-12)9-14-11-6-4-3-5-7-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine?
3-cyclohexylsulfanyl-2-ethoxypropan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 63071606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).