3-(3-methylpiperidin-1-yl)pentanethioamide

C11H22N2S — CID 43367645

IUPAC3-(3-methylpiperidin-1-yl)pentanethioamide
SMILESCCC(CC(N)=S)N1CCCC(C)C1
InChIInChI=1S/C11H22N2S/c1-3-10(7-11(12)14)13-6-4-5-9(2)8-13/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyWTUKDHIMIKWOIN-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.17
Rot. Bonds4

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

3-(3-methylpiperidin-1-yl)pentanethioamide (PubChem CID 43367645) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)pentanethioamide.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)pentanethioamide
PubChem CID43367645
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-(3-methylpiperidin-1-yl)pentanethioamide
SMILESCCC(CC(N)=S)N1CCCC(C)C1
InChIInChI=1S/C11H22N2S/c1-3-10(7-11(12)14)13-6-4-5-9(2)8-13/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyWTUKDHIMIKWOIN-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.17
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-(2,3-dimethylpiperidin-1-yl)pentanethioamide
CID 62122843
3-(4-ethoxypiperidin-1-yl)pentanethioamide
CID 61220712
3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
CID 81203856
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
3-(3-ethylpiperidin-1-yl)butanethioamide
CID 60914688
3-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanethioamide
CID 102889127
3-(3-methylpiperidin-1-yl)propanethioamide
CID 24690100
3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanethioamide
CID 43581492
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)pentanoic acid
CID 63151670
2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide
CID 84748846
N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine
CID 168861294

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)pentanethioamide?
The IUPAC name of 3-(3-methylpiperidin-1-yl)pentanethioamide (CID 43367645) is 3-(3-methylpiperidin-1-yl)pentanethioamide.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)pentanethioamide?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)pentanethioamide is CCC(CC(N)=S)N1CCCC(C)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)pentanethioamide?
The InChIKey is WTUKDHIMIKWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-10(7-11(12)14)13-6-4-5-9(2)8-13/h9-10H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 3-(3-methylpiperidin-1-yl)pentanethioamide?
3-(3-methylpiperidin-1-yl)pentanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.17, 4 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)pentanethioamide is sourced from PubChem (CID 43367645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).