4-ethyl-2-methylsulfinylcyclohexan-1-amine

C9H19NOS — CID 64656221

IUPAC4-ethyl-2-methylsulfinylcyclohexan-1-amine
SMILESCCC1CCC(N)C(S(C)=O)C1
InChIInChI=1S/C9H19NOS/c1-3-7-4-5-8(10)9(6-7)12(2)11/h7-9H,3-6,10H2,1-2H3
InChIKeyJGXKKZRJTFAERA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.27
Rot. Bonds2

About 4-ethyl-2-methylsulfinylcyclohexan-1-amine

4-ethyl-2-methylsulfinylcyclohexan-1-amine (PubChem CID 64656221) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-ethyl-2-methylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-methylsulfinylcyclohexan-1-amine
PubChem CID64656221
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-ethyl-2-methylsulfinylcyclohexan-1-amine
SMILESCCC1CCC(N)C(S(C)=O)C1
InChIInChI=1S/C9H19NOS/c1-3-7-4-5-8(10)9(6-7)12(2)11/h7-9H,3-6,10H2,1-2H3
InChIKeyJGXKKZRJTFAERA-UHFFFAOYSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylsulfinylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-methylsulfinylcyclohexan-1-amine (CID 64656221) is 4-ethyl-2-methylsulfinylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-methylsulfinylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-methylsulfinylcyclohexan-1-amine is CCC1CCC(N)C(S(C)=O)C1.
What is the InChIKey of 4-ethyl-2-methylsulfinylcyclohexan-1-amine?
The InChIKey is JGXKKZRJTFAERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-7-4-5-8(10)9(6-7)12(2)11/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 4-ethyl-2-methylsulfinylcyclohexan-1-amine?
4-ethyl-2-methylsulfinylcyclohexan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64656221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).