3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine

C11H21NOS — CID 107762588

IUPAC3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine
SMILESCC1OCCC1SC1CCCC(N)C1
InChIInChI=1S/C11H21NOS/c1-8-11(5-6-13-8)14-10-4-2-3-9(12)7-10/h8-11H,2-7,12H2,1H3
InChIKeyIHIUJYJPQZOUDG-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.17
Rot. Bonds2

About 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine

3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine (PubChem CID 107762588) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine
PubChem CID107762588
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine
SMILESCC1OCCC1SC1CCCC(N)C1
InChIInChI=1S/C11H21NOS/c1-8-11(5-6-13-8)14-10-4-2-3-9(12)7-10/h8-11H,2-7,12H2,1H3
InChIKeyIHIUJYJPQZOUDG-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine (CID 107762588) is 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine is CC1OCCC1SC1CCCC(N)C1.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine?
The InChIKey is IHIUJYJPQZOUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8-11(5-6-13-8)14-10-4-2-3-9(12)7-10/h8-11H,2-7,12H2,1H3.
What are the key properties of 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine?
3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 107762588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).