2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide

C11H23N3S — CID 43585286

IUPAC2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide
SMILESCC(CN1CCN(C(C)C)CC1)C(N)=S
InChIInChI=1S/C11H23N3S/c1-9(2)14-6-4-13(5-7-14)8-10(3)11(12)15/h9-10H,4-8H2,1-3H3,(H2,12,15)
InChIKeyOMOSYMDZIWOVLZ-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.93
Rot. Bonds4

About 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide

2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide (PubChem CID 43585286) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide
PubChem CID43585286
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide
SMILESCC(CN1CCN(C(C)C)CC1)C(N)=S
InChIInChI=1S/C11H23N3S/c1-9(2)14-6-4-13(5-7-14)8-10(3)11(12)15/h9-10H,4-8H2,1-3H3,(H2,12,15)
InChIKeyOMOSYMDZIWOVLZ-UHFFFAOYSA-N
XLogP0.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanethioamide
CID 62777249
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
CID 43581490
3-(1,4-diazepan-1-yl)-2-methylpropanethioamide
CID 82162730
2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
CID 62199637
3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide
CID 43367734
2-methyl-3-(5-oxo-1,4-diazepan-1-yl)propanethioamide
CID 63003036
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
CID 65227933
3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide
CID 114678688
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-ylpiperazin-1-yl)methyl]propanimidamide
CID 103369265
methyl 2-bromo-3-(4-propan-2-ylpiperazin-1-yl)propanoate
CID 81100376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide?
The IUPAC name of 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide (CID 43585286) is 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide is CC(CN1CCN(C(C)C)CC1)C(N)=S.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide?
The InChIKey is OMOSYMDZIWOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-9(2)14-6-4-13(5-7-14)8-10(3)11(12)15/h9-10H,4-8H2,1-3H3,(H2,12,15).
What are the key properties of 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide?
2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide has a molecular weight of 229.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide is sourced from PubChem (CID 43585286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).