methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium

C13H24N2S+2 — CID 6938410

IUPACmethyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)C2CC[NH+](C)CC2)s1
InChIInChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3/p+2
InChIKeyRPVACLUYJCXYEJ-UHFFFAOYSA-P
MW240.42 g/mol
LogP-0.25
Rot. Bonds3

About methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium

methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium (PubChem CID 6938410) has the molecular formula C13H24N2S+2 and a molecular weight of 240.42 g/mol. Its IUPAC name is methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium
PubChem CID6938410
Molecular FormulaC13H24N2S+2
Molecular Weight240.42 g/mol
Exact Mass240.16
IUPAC Namemethyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)C2CC[NH+](C)CC2)s1
InChIInChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3/p+2
InChIKeyRPVACLUYJCXYEJ-UHFFFAOYSA-P
XLogP-0.25
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium (CID 6938410) is methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium is Cc1ccc(C[NH+](C)C2CC[NH+](C)CC2)s1.
What is the InChIKey of methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
The InChIKey is RPVACLUYJCXYEJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3/p+2.
What are the key properties of methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium?
methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium has a molecular weight of 240.42 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 6938410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).