2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide

C14H26N2OS — CID 63161688

IUPAC2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide
SMILESCCC1(C)CCN(C(=O)C(C(N)=S)C(C)C)CC1
InChIInChI=1S/C14H26N2OS/c1-5-14(4)6-8-16(9-7-14)13(17)11(10(2)3)12(15)18/h10-11H,5-9H2,1-4H3,(H2,15,18)
InChIKeyHRPNGISXVOHMPP-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide

2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide (PubChem CID 63161688) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide
PubChem CID63161688
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide
SMILESCCC1(C)CCN(C(=O)C(C(N)=S)C(C)C)CC1
InChIInChI=1S/C14H26N2OS/c1-5-14(4)6-8-16(9-7-14)13(17)11(10(2)3)12(15)18/h10-11H,5-9H2,1-4H3,(H2,15,18)
InChIKeyHRPNGISXVOHMPP-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.58
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

(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
2-chloro-1-(4-ethyl-4-methylpiperidin-1-yl)propan-1-one
CID 63158562
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498360
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 81088783
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
2-(4-ethyl-4-methylpiperidin-1-yl)propanethioamide
CID 63160702
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76981094
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
CID 63160272
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3-methylbutanethioamide
CID 64596894

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide?
The IUPAC name of 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide (CID 63161688) is 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide is CCC1(C)CCN(C(=O)C(C(N)=S)C(C)C)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide?
The InChIKey is HRPNGISXVOHMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-14(4)6-8-16(9-7-14)13(17)11(10(2)3)12(15)18/h10-11H,5-9H2,1-4H3,(H2,15,18).
What are the key properties of 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide?
2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide has a molecular weight of 270.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide is sourced from PubChem (CID 63161688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).