1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine

C9H22N2O2S — CID 58959828

IUPAC1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine
SMILESCCCS(O)(O)N1CCC(C)(N)CC1
InChIInChI=1S/C9H22N2O2S/c1-3-8-14(12,13)11-6-4-9(2,10)5-7-11/h12-13H,3-8,10H2,1-2H3
InChIKeyLIZITMZDJCJRNU-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.88
Rot. Bonds3

About 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine

1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine (PubChem CID 58959828) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine
PubChem CID58959828
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine
SMILESCCCS(O)(O)N1CCC(C)(N)CC1
InChIInChI=1S/C9H22N2O2S/c1-3-8-14(12,13)11-6-4-9(2,10)5-7-11/h12-13H,3-8,10H2,1-2H3
InChIKeyLIZITMZDJCJRNU-UHFFFAOYSA-N
XLogP1.88
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine (CID 58959828) is 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine is CCCS(O)(O)N1CCC(C)(N)CC1.
What is the InChIKey of 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine?
The InChIKey is LIZITMZDJCJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-3-8-14(12,13)11-6-4-9(2,10)5-7-11/h12-13H,3-8,10H2,1-2H3.
What are the key properties of 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine?
1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine has a molecular weight of 222.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dihydroxy(propyl)-λ4-sulfanyl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 58959828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).