5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine

C12H24N2S — CID 79987124

IUPAC5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCCSC2C)C1
InChIInChI=1S/C12H24N2S/c1-9-6-11(13)8-14(7-9)12-4-3-5-15-10(12)2/h9-12H,3-8,13H2,1-2H3
InChIKeyMOCFWGMFUKKPNT-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.94
Rot. Bonds1

About 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine

5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine (PubChem CID 79987124) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine
PubChem CID79987124
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCCSC2C)C1
InChIInChI=1S/C12H24N2S/c1-9-6-11(13)8-14(7-9)12-4-3-5-15-10(12)2/h9-12H,3-8,13H2,1-2H3
InChIKeyMOCFWGMFUKKPNT-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine (CID 79987124) is 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine is CC1CC(N)CN(C2CCCSC2C)C1.
What is the InChIKey of 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine?
The InChIKey is MOCFWGMFUKKPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-9-6-11(13)8-14(7-9)12-4-3-5-15-10(12)2/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine?
5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylthian-3-yl)piperidin-3-amine is sourced from PubChem (CID 79987124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).