1-ethylsulfinylpiperidin-4-amine

C7H16N2OS — CID 89224162

IUPAC1-ethylsulfinylpiperidin-4-amine
SMILESCCS(=O)N1CCC(N)CC1
InChIInChI=1S/C7H16N2OS/c1-2-11(10)9-5-3-7(8)4-6-9/h7H,2-6,8H2,1H3
InChIKeyYKBQGANNBIWRCE-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.09
Rot. Bonds2

About 1-ethylsulfinylpiperidin-4-amine

1-ethylsulfinylpiperidin-4-amine (PubChem CID 89224162) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-ethylsulfinylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfinylpiperidin-4-amine
PubChem CID89224162
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-ethylsulfinylpiperidin-4-amine
SMILESCCS(=O)N1CCC(N)CC1
InChIInChI=1S/C7H16N2OS/c1-2-11(10)9-5-3-7(8)4-6-9/h7H,2-6,8H2,1H3
InChIKeyYKBQGANNBIWRCE-UHFFFAOYSA-N
XLogP0.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylpiperidin-4-amine?
The IUPAC name of 1-ethylsulfinylpiperidin-4-amine (CID 89224162) is 1-ethylsulfinylpiperidin-4-amine.
What is the SMILES notation for 1-ethylsulfinylpiperidin-4-amine?
The canonical SMILES for 1-ethylsulfinylpiperidin-4-amine is CCS(=O)N1CCC(N)CC1.
What is the InChIKey of 1-ethylsulfinylpiperidin-4-amine?
The InChIKey is YKBQGANNBIWRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-2-11(10)9-5-3-7(8)4-6-9/h7H,2-6,8H2,1H3.
What are the key properties of 1-ethylsulfinylpiperidin-4-amine?
1-ethylsulfinylpiperidin-4-amine has a molecular weight of 176.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylpiperidin-4-amine is sourced from PubChem (CID 89224162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).