1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide

C10H20N2OS — CID 139358933

IUPAC1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide
SMILESCC1CNCC(N=S2(=O)CCCC2)C1
InChIInChI=1S/C10H20N2OS/c1-9-6-10(8-11-7-9)12-14(13)4-2-3-5-14/h9-11H,2-8H2,1H3
InChIKeyUTURUGPFIZCNMI-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.25
Rot. Bonds1

About 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide

1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide (PubChem CID 139358933) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide.

Molecular Properties

Compound Name1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide
PubChem CID139358933
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide
SMILESCC1CNCC(N=S2(=O)CCCC2)C1
InChIInChI=1S/C10H20N2OS/c1-9-6-10(8-11-7-9)12-14(13)4-2-3-5-14/h9-11H,2-8H2,1H3
InChIKeyUTURUGPFIZCNMI-UHFFFAOYSA-N
XLogP1.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide?
The IUPAC name of 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide (CID 139358933) is 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide.
What is the SMILES notation for 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide?
The canonical SMILES for 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide is CC1CNCC(N=S2(=O)CCCC2)C1.
What is the InChIKey of 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide?
The InChIKey is UTURUGPFIZCNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9-6-10(8-11-7-9)12-14(13)4-2-3-5-14/h9-11H,2-8H2,1H3.
What are the key properties of 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide?
1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide has a molecular weight of 216.35 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpiperidin-3-yl)iminothiolane 1-oxide is sourced from PubChem (CID 139358933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).