1-(2-methoxyethylsulfinyl)piperidin-4-amine

C8H18N2O2S — CID 167193735

IUPAC1-(2-methoxyethylsulfinyl)piperidin-4-amine
SMILESCOCCS(=O)N1CCC(N)CC1
InChIInChI=1S/C8H18N2O2S/c1-12-6-7-13(11)10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3
InChIKeyOJRBBXPKBWYOSQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.28
Rot. Bonds4

About 1-(2-methoxyethylsulfinyl)piperidin-4-amine

1-(2-methoxyethylsulfinyl)piperidin-4-amine (PubChem CID 167193735) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfinyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethylsulfinyl)piperidin-4-amine
PubChem CID167193735
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(2-methoxyethylsulfinyl)piperidin-4-amine
SMILESCOCCS(=O)N1CCC(N)CC1
InChIInChI=1S/C8H18N2O2S/c1-12-6-7-13(11)10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3
InChIKeyOJRBBXPKBWYOSQ-UHFFFAOYSA-N
XLogP-0.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfinyl)piperidin-4-amine?
The IUPAC name of 1-(2-methoxyethylsulfinyl)piperidin-4-amine (CID 167193735) is 1-(2-methoxyethylsulfinyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methoxyethylsulfinyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methoxyethylsulfinyl)piperidin-4-amine is COCCS(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(2-methoxyethylsulfinyl)piperidin-4-amine?
The InChIKey is OJRBBXPKBWYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-12-6-7-13(11)10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-(2-methoxyethylsulfinyl)piperidin-4-amine?
1-(2-methoxyethylsulfinyl)piperidin-4-amine has a molecular weight of 206.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfinyl)piperidin-4-amine is sourced from PubChem (CID 167193735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).