2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide

Name: 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₂N₂OS₂ — CID 107392715

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide

SMILESCOC1(C)CCCN(c2cccc(SC)c2C(N)=S)C1

InChIInChI=1S/C15H22N2OS2/c1-15(18-2)8-5-9-17(10-15)11-6-4-7-12(20-3)13(11)14(16)19/h4,6-7H,5,8-10H2,1-3H3,(H2,16,19)

InChIKeyZNFJSJPRMMSIFU-UHFFFAOYSA-N

MW310.49 g/mol

LogP3.05

Rot. Bonds4

About 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide

2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide (PubChem CID 107392715) has the molecular formula C₁₅H₂₂N₂OS₂ and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide.

Molecular Properties

Compound Name	2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide
PubChem CID	107392715
Molecular Formula	C₁₅H₂₂N₂OS₂
Molecular Weight	310.49 g/mol
Exact Mass	310.12
IUPAC Name	2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide
SMILES	COC1(C)CCCN(c2cccc(SC)c2C(N)=S)C1
InChI	InChI=1S/C15H22N2OS2/c1-15(18-2)8-5-9-17(10-15)11-6-4-7-12(20-3)13(11)14(16)19/h4,6-7H,5,8-10H2,1-3H3,(H2,16,19)
InChIKey	ZNFJSJPRMMSIFU-UHFFFAOYSA-N
XLogP	3.05
TPSA	38.49 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.49
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide?

The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide (CID 107392715) is 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide.

What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide?

The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide is COC1(C)CCCN(c2cccc(SC)c2C(N)=S)C1.

What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide?

The InChIKey is ZNFJSJPRMMSIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-15(18-2)8-5-9-17(10-15)11-6-4-7-12(20-3)13(11)14(16)19/h4,6-7H,5,8-10H2,1-3H3,(H2,16,19).

What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide?

2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide has a molecular weight of 310.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide is sourced from PubChem (CID 107392715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107392715 — identifiers, structure, computed properties (public domain)

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