3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide

C10H20N2OS — CID 114678688

IUPAC3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide
SMILESCC(CN1CCC(O)C(C)C1)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-7-5-12(4-3-9(7)13)6-8(2)10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyBCWSOEKZNLQNQS-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.61
Rot. Bonds3

About 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide

3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide (PubChem CID 114678688) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide
PubChem CID114678688
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide
SMILESCC(CN1CCC(O)C(C)C1)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-7-5-12(4-3-9(7)13)6-8(2)10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyBCWSOEKZNLQNQS-UHFFFAOYSA-N
XLogP0.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxypropyl)-3-methylpiperidin-4-ol
CID 114502642
3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide
CID 102958133
3-methyl-1-[2-methyl-3-(methylamino)propyl]piperidin-4-ol
CID 114681091
3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide
CID 43367734
1-(3-bromo-2-hydroxypropyl)-3-methylpiperidin-4-ol
CID 114681046
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
CID 62199637
2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanethioamide
CID 62777249
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
2-[(3,4-dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368831
1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114681875
3-methyl-1-(2-piperidin-1-ylethyl)piperidin-4-ol
CID 114502746

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide (CID 114678688) is 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide is CC(CN1CCC(O)C(C)C1)C(N)=S.
What is the InChIKey of 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide?
The InChIKey is BCWSOEKZNLQNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7-5-12(4-3-9(7)13)6-8(2)10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide?
3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide has a molecular weight of 216.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 114678688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).