3-(3-ethylcyclohexyl)sulfinylpropan-1-amine

C11H23NOS — CID 81187568

IUPAC3-(3-ethylcyclohexyl)sulfinylpropan-1-amine
SMILESCCC1CCCC(S(=O)CCCN)C1
InChIInChI=1S/C11H23NOS/c1-2-10-5-3-6-11(9-10)14(13)8-4-7-12/h10-11H,2-9,12H2,1H3
InChIKeyJEKLBHYXRVZANM-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.05
Rot. Bonds5

About 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine

3-(3-ethylcyclohexyl)sulfinylpropan-1-amine (PubChem CID 81187568) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)sulfinylpropan-1-amine
PubChem CID81187568
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(3-ethylcyclohexyl)sulfinylpropan-1-amine
SMILESCCC1CCCC(S(=O)CCCN)C1
InChIInChI=1S/C11H23NOS/c1-2-10-5-3-6-11(9-10)14(13)8-4-7-12/h10-11H,2-9,12H2,1H3
InChIKeyJEKLBHYXRVZANM-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine?
The IUPAC name of 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine (CID 81187568) is 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine.
What is the SMILES notation for 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine?
The canonical SMILES for 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine is CCC1CCCC(S(=O)CCCN)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine?
The InChIKey is JEKLBHYXRVZANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-10-5-3-6-11(9-10)14(13)8-4-7-12/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine?
3-(3-ethylcyclohexyl)sulfinylpropan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)sulfinylpropan-1-amine is sourced from PubChem (CID 81187568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).