2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide

C10H20N2S — CID 43367636

IUPAC2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide
SMILESCC(CN1CCCCC1C)C(N)=S
InChIInChI=1S/C10H20N2S/c1-8(10(11)13)7-12-6-4-3-5-9(12)2/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyFQCKFXBIJNQWKJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide

2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide (PubChem CID 43367636) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide.

Molecular Properties

Compound Name2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide
PubChem CID43367636
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide
SMILESCC(CN1CCCCC1C)C(N)=S
InChIInChI=1S/C10H20N2S/c1-8(10(11)13)7-12-6-4-3-5-9(12)2/h8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyFQCKFXBIJNQWKJ-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide?
The IUPAC name of 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide (CID 43367636) is 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide.
What is the SMILES notation for 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide?
The canonical SMILES for 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide is CC(CN1CCCCC1C)C(N)=S.
What is the InChIKey of 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide?
The InChIKey is FQCKFXBIJNQWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(10(11)13)7-12-6-4-3-5-9(12)2/h8-9H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide?
2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide has a molecular weight of 200.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpiperidin-1-yl)propanethioamide is sourced from PubChem (CID 43367636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).