4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide

C10H20N2S2 — CID 107161548

IUPAC4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide
SMILESCSCCN1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C10H20N2S2/c1-10(9(11)13)3-5-12(6-4-10)7-8-14-2/h3-8H2,1-2H3,(H2,11,13)
InChIKeyQBPPFJDWFXJSLE-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.74
Rot. Bonds4

About 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide

4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide (PubChem CID 107161548) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide
PubChem CID107161548
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide
SMILESCSCCN1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C10H20N2S2/c1-10(9(11)13)3-5-12(6-4-10)7-8-14-2/h3-8H2,1-2H3,(H2,11,13)
InChIKeyQBPPFJDWFXJSLE-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide?
The IUPAC name of 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide (CID 107161548) is 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide.
What is the SMILES notation for 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide?
The canonical SMILES for 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide is CSCCN1CCC(C)(C(N)=S)CC1.
What is the InChIKey of 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide?
The InChIKey is QBPPFJDWFXJSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-10(9(11)13)3-5-12(6-4-10)7-8-14-2/h3-8H2,1-2H3,(H2,11,13).
What are the key properties of 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide?
4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide has a molecular weight of 232.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide is sourced from PubChem (CID 107161548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).