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

C9H18N2S — CID 24690100

IUPAC3-(3-methylpiperidin-1-yl)propanethioamide
SMILESCC1CCCN(CCC(N)=S)C1
InChIInChI=1S/C9H18N2S/c1-8-3-2-5-11(7-8)6-4-9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyWRUVTTSASRRSKQ-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.39
Rot. Bonds3

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

3-(3-methylpiperidin-1-yl)propanethioamide (PubChem CID 24690100) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)propanethioamide.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)propanethioamide
PubChem CID24690100
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-(3-methylpiperidin-1-yl)propanethioamide
SMILESCC1CCCN(CCC(N)=S)C1
InChIInChI=1S/C9H18N2S/c1-8-3-2-5-11(7-8)6-4-9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyWRUVTTSASRRSKQ-UHFFFAOYSA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.39
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

3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-(6-methyl-1,4-thiazepan-4-yl)propanethioamide
CID 131113507
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanethioamide
CID 79937809
3-(azepan-1-yl)propanethioamide
CID 24698723
ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbothioamide
CID 82424997
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
2-(3-methylpyrrolidin-1-yl)ethanethioamide
CID 61224229
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
CID 63169620
1-butyl-3-methylpiperidine;ethane
CID 143349503

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)propanethioamide?
The IUPAC name of 3-(3-methylpiperidin-1-yl)propanethioamide (CID 24690100) is 3-(3-methylpiperidin-1-yl)propanethioamide.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)propanethioamide?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)propanethioamide is CC1CCCN(CCC(N)=S)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)propanethioamide?
The InChIKey is WRUVTTSASRRSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8-3-2-5-11(7-8)6-4-9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 3-(3-methylpiperidin-1-yl)propanethioamide?
3-(3-methylpiperidin-1-yl)propanethioamide has a molecular weight of 186.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)propanethioamide is sourced from PubChem (CID 24690100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).