1-methylpiperidin-4-amine;thiane

C11H24N2S — CID 156804616

IUPAC1-methylpiperidin-4-amine;thiane
SMILESC1CCSCC1.CN1CCC(N)CC1
InChIInChI=1S/C6H14N2.C5H10S/c1-8-4-2-6(7)3-5-8;1-2-4-6-5-3-1/h6H,2-5,7H2,1H3;1-5H2
InChIKeyZIOXMMBMVFUKFH-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds

About 1-methylpiperidin-4-amine;thiane

1-methylpiperidin-4-amine;thiane (PubChem CID 156804616) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-methylpiperidin-4-amine;thiane.

Molecular Properties

Compound Name1-methylpiperidin-4-amine;thiane
PubChem CID156804616
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-methylpiperidin-4-amine;thiane
SMILESC1CCSCC1.CN1CCC(N)CC1
InChIInChI=1S/C6H14N2.C5H10S/c1-8-4-2-6(7)3-5-8;1-2-4-6-5-3-1/h6H,2-5,7H2,1H3;1-5H2
InChIKeyZIOXMMBMVFUKFH-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-amine;thiane?
The IUPAC name of 1-methylpiperidin-4-amine;thiane (CID 156804616) is 1-methylpiperidin-4-amine;thiane.
What is the SMILES notation for 1-methylpiperidin-4-amine;thiane?
The canonical SMILES for 1-methylpiperidin-4-amine;thiane is C1CCSCC1.CN1CCC(N)CC1.
What is the InChIKey of 1-methylpiperidin-4-amine;thiane?
The InChIKey is ZIOXMMBMVFUKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C5H10S/c1-8-4-2-6(7)3-5-8;1-2-4-6-5-3-1/h6H,2-5,7H2,1H3;1-5H2.
What are the key properties of 1-methylpiperidin-4-amine;thiane?
1-methylpiperidin-4-amine;thiane has a molecular weight of 216.39 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-amine;thiane is sourced from PubChem (CID 156804616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).