3-methoxypiperidine-1-carbothioamide

C7H14N2OS — CID 102963097

IUPAC3-methoxypiperidine-1-carbothioamide
SMILESCOC1CCCN(C(N)=S)C1
InChIInChI=1S/C7H14N2OS/c1-10-6-3-2-4-9(5-6)7(8)11/h6H,2-5H2,1H3,(H2,8,11)
InChIKeyJNLYFYFUSNMHOD-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.34
Rot. Bonds1

About 3-methoxypiperidine-1-carbothioamide

3-methoxypiperidine-1-carbothioamide (PubChem CID 102963097) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-methoxypiperidine-1-carbothioamide.

Molecular Properties

Compound Name3-methoxypiperidine-1-carbothioamide
PubChem CID102963097
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name3-methoxypiperidine-1-carbothioamide
SMILESCOC1CCCN(C(N)=S)C1
InChIInChI=1S/C7H14N2OS/c1-10-6-3-2-4-9(5-6)7(8)11/h6H,2-5H2,1H3,(H2,8,11)
InChIKeyJNLYFYFUSNMHOD-UHFFFAOYSA-N
XLogP0.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
3-methoxypiperidine-1-carboximidamide
CID 19089238
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
4-(3-methoxypiperidine-1-carbonyl)oxane-4-carbothioamide
CID 102957868
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide
CID 102958133
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 102971289

Frequently Asked Questions

What is the IUPAC name of 3-methoxypiperidine-1-carbothioamide?
The IUPAC name of 3-methoxypiperidine-1-carbothioamide (CID 102963097) is 3-methoxypiperidine-1-carbothioamide.
What is the SMILES notation for 3-methoxypiperidine-1-carbothioamide?
The canonical SMILES for 3-methoxypiperidine-1-carbothioamide is COC1CCCN(C(N)=S)C1.
What is the InChIKey of 3-methoxypiperidine-1-carbothioamide?
The InChIKey is JNLYFYFUSNMHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-10-6-3-2-4-9(5-6)7(8)11/h6H,2-5H2,1H3,(H2,8,11).
What are the key properties of 3-methoxypiperidine-1-carbothioamide?
3-methoxypiperidine-1-carbothioamide has a molecular weight of 174.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypiperidine-1-carbothioamide is sourced from PubChem (CID 102963097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).