4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide

C12H24N2S — CID 114593354

IUPAC4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide
SMILESCC1CC(C)C(C)N(CCCC(N)=S)C1
InChIInChI=1S/C12H24N2S/c1-9-7-10(2)11(3)14(8-9)6-4-5-12(13)15/h9-11H,4-8H2,1-3H3,(H2,13,15)
InChIKeyHZAIDLUBVNHYBI-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.42
Rot. Bonds4

About 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide

4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide (PubChem CID 114593354) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide.

Molecular Properties

Compound Name4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide
PubChem CID114593354
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide
SMILESCC1CC(C)C(C)N(CCCC(N)=S)C1
InChIInChI=1S/C12H24N2S/c1-9-7-10(2)11(3)14(8-9)6-4-5-12(13)15/h9-11H,4-8H2,1-3H3,(H2,13,15)
InChIKeyHZAIDLUBVNHYBI-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.42
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

4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-[1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 114593382
1-amino-2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)pentan-2-ol
CID 114597568
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
1-(4-bromophenyl)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114594159
2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
CID 114593870
2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
CID 114593809
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanethioamide
CID 66055213
2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597515
[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 114592329
2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 106806513

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide?
The IUPAC name of 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide (CID 114593354) is 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide.
What is the SMILES notation for 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide?
The canonical SMILES for 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide is CC1CC(C)C(C)N(CCCC(N)=S)C1.
What is the InChIKey of 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide?
The InChIKey is HZAIDLUBVNHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-9-7-10(2)11(3)14(8-9)6-4-5-12(13)15/h9-11H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide?
4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide has a molecular weight of 228.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide is sourced from PubChem (CID 114593354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).