methanethioamide;piperidin-4-ol

C6H14N2OS — CID 174667571

IUPACmethanethioamide;piperidin-4-ol
SMILESNC=S.OC1CCNCC1
InChIInChI=1S/C5H11NO.CH3NS/c7-5-1-3-6-4-2-5;2-1-3/h5-7H,1-4H2;1H,(H2,2,3)
InChIKeyZMNBRZXTSOVXSJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.37
Rot. Bonds

About methanethioamide;piperidin-4-ol

methanethioamide;piperidin-4-ol (PubChem CID 174667571) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is methanethioamide;piperidin-4-ol.

Molecular Properties

Compound Namemethanethioamide;piperidin-4-ol
PubChem CID174667571
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Namemethanethioamide;piperidin-4-ol
SMILESNC=S.OC1CCNCC1
InChIInChI=1S/C5H11NO.CH3NS/c7-5-1-3-6-4-2-5;2-1-3/h5-7H,1-4H2;1H,(H2,2,3)
InChIKeyZMNBRZXTSOVXSJ-UHFFFAOYSA-N
XLogP-0.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
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 methanethioamide;piperidin-4-ol?
The IUPAC name of methanethioamide;piperidin-4-ol (CID 174667571) is methanethioamide;piperidin-4-ol.
What is the SMILES notation for methanethioamide;piperidin-4-ol?
The canonical SMILES for methanethioamide;piperidin-4-ol is NC=S.OC1CCNCC1.
What is the InChIKey of methanethioamide;piperidin-4-ol?
The InChIKey is ZMNBRZXTSOVXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH3NS/c7-5-1-3-6-4-2-5;2-1-3/h5-7H,1-4H2;1H,(H2,2,3).
What are the key properties of methanethioamide;piperidin-4-ol?
methanethioamide;piperidin-4-ol has a molecular weight of 162.26 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioamide;piperidin-4-ol is sourced from PubChem (CID 174667571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).