3-ethylsulfinylcyclohexan-1-amine

C8H17NOS — CID 64717350

IUPAC3-ethylsulfinylcyclohexan-1-amine
SMILESCCS(=O)C1CCCC(N)C1
InChIInChI=1S/C8H17NOS/c1-2-11(10)8-5-3-4-7(9)6-8/h7-8H,2-6,9H2,1H3
InChIKeyWZZVAVUXQCERPY-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.02
Rot. Bonds2

About 3-ethylsulfinylcyclohexan-1-amine

3-ethylsulfinylcyclohexan-1-amine (PubChem CID 64717350) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-ethylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name3-ethylsulfinylcyclohexan-1-amine
PubChem CID64717350
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-ethylsulfinylcyclohexan-1-amine
SMILESCCS(=O)C1CCCC(N)C1
InChIInChI=1S/C8H17NOS/c1-2-11(10)8-5-3-4-7(9)6-8/h7-8H,2-6,9H2,1H3
InChIKeyWZZVAVUXQCERPY-UHFFFAOYSA-N
XLogP1.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinylcyclohexan-1-amine?
The IUPAC name of 3-ethylsulfinylcyclohexan-1-amine (CID 64717350) is 3-ethylsulfinylcyclohexan-1-amine.
What is the SMILES notation for 3-ethylsulfinylcyclohexan-1-amine?
The canonical SMILES for 3-ethylsulfinylcyclohexan-1-amine is CCS(=O)C1CCCC(N)C1.
What is the InChIKey of 3-ethylsulfinylcyclohexan-1-amine?
The InChIKey is WZZVAVUXQCERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-11(10)8-5-3-4-7(9)6-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 3-ethylsulfinylcyclohexan-1-amine?
3-ethylsulfinylcyclohexan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64717350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).