2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine

C11H23NOS — CID 64652738

IUPAC2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)C1CC(C(C)C)CCC1N
InChIInChI=1S/C11H23NOS/c1-4-14(13)11-7-9(8(2)3)5-6-10(11)12/h8-11H,4-7,12H2,1-3H3
InChIKeyGQUMWRWBDDYYEN-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.91
Rot. Bonds3

About 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine

2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64652738) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64652738
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)C1CC(C(C)C)CCC1N
InChIInChI=1S/C11H23NOS/c1-4-14(13)11-7-9(8(2)3)5-6-10(11)12/h8-11H,4-7,12H2,1-3H3
InChIKeyGQUMWRWBDDYYEN-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine (CID 64652738) is 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine is CCS(=O)C1CC(C(C)C)CCC1N.
What is the InChIKey of 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is GQUMWRWBDDYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-14(13)11-7-9(8(2)3)5-6-10(11)12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine?
2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64652738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).