2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide

C14H25N3OS — CID 107001586

IUPAC2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide
SMILESCC1(C)CC1C(=O)N1CCN(C(C)(C)C(N)=S)CC1
InChIInChI=1S/C14H25N3OS/c1-13(2)9-10(13)11(18)16-5-7-17(8-6-16)14(3,4)12(15)19/h10H,5-9H2,1-4H3,(H2,15,19)
InChIKeyQKEUUJVWYATBOO-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.24
Rot. Bonds3

About 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide

2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide (PubChem CID 107001586) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide
PubChem CID107001586
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide
SMILESCC1(C)CC1C(=O)N1CCN(C(C)(C)C(N)=S)CC1
InChIInChI=1S/C14H25N3OS/c1-13(2)9-10(13)11(18)16-5-7-17(8-6-16)14(3,4)12(15)19/h10H,5-9H2,1-4H3,(H2,15,19)
InChIKeyQKEUUJVWYATBOO-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide?
The IUPAC name of 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide (CID 107001586) is 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide.
What is the SMILES notation for 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide?
The canonical SMILES for 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide is CC1(C)CC1C(=O)N1CCN(C(C)(C)C(N)=S)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide?
The InChIKey is QKEUUJVWYATBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-13(2)9-10(13)11(18)16-5-7-17(8-6-16)14(3,4)12(15)19/h10H,5-9H2,1-4H3,(H2,15,19).
What are the key properties of 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide?
2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide has a molecular weight of 283.44 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide is sourced from PubChem (CID 107001586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).