4-(4-hydroxypiperidin-1-yl)butanethioamide

C9H18N2OS — CID 24697487

IUPAC4-(4-hydroxypiperidin-1-yl)butanethioamide
SMILESNC(=S)CCCN1CCC(O)CC1
InChIInChI=1S/C9H18N2OS/c10-9(13)2-1-5-11-6-3-8(12)4-7-11/h8,12H,1-7H2,(H2,10,13)
InChIKeyXFAOJAZNSFFBTI-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.51
Rot. Bonds4

About 4-(4-hydroxypiperidin-1-yl)butanethioamide

4-(4-hydroxypiperidin-1-yl)butanethioamide (PubChem CID 24697487) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)butanethioamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)butanethioamide
PubChem CID24697487
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name4-(4-hydroxypiperidin-1-yl)butanethioamide
SMILESNC(=S)CCCN1CCC(O)CC1
InChIInChI=1S/C9H18N2OS/c10-9(13)2-1-5-11-6-3-8(12)4-7-11/h8,12H,1-7H2,(H2,10,13)
InChIKeyXFAOJAZNSFFBTI-UHFFFAOYSA-N
XLogP0.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.51
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-(3-Aminopropyl)piperidin-4-ol
CID 4712468
3,3,3-Trifluoro-2-[(4-hydroxypiperidin-1-yl)methyl]propanethioamide
CID 103368498
1-(4-Aminobutyl)piperidin-4-OL
CID 20115838
1-(5-Aminopentyl)piperidin-4-ol
CID 61524832
4-Hydroxypiperidine-3-thione
CID 91422985
Ethanamine;1-methylpiperidin-4-ol
CID 143224693
1-(6-Aminohexyl)piperidin-4-ol
CID 169291293
Methanethioamide;piperidin-4-ol
CID 174667571
Ethane;ethanethioamide;1-ethylpiperidin-4-ol
CID 179066345
2-(4-Hydroxypiperidin-1-yl)ethanethioamide
CID 24708280
3-(4-Hydroxypiperidin-1-yl)propanethioamide
CID 24710235
3-(4-Hydroxypiperidin-1-yl)-2-methylpropanethioamide
CID 43174977

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)butanethioamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)butanethioamide (CID 24697487) is 4-(4-hydroxypiperidin-1-yl)butanethioamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)butanethioamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)butanethioamide is NC(=S)CCCN1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)butanethioamide?
The InChIKey is XFAOJAZNSFFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c10-9(13)2-1-5-11-6-3-8(12)4-7-11/h8,12H,1-7H2,(H2,10,13).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)butanethioamide?
4-(4-hydroxypiperidin-1-yl)butanethioamide has a molecular weight of 202.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)butanethioamide is sourced from PubChem (CID 24697487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).