2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide

C11H19N3OS — CID 63336059

IUPAC2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide
SMILESCC1CC1C(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H19N3OS/c1-8-6-9(8)11(15)14-4-2-13(3-5-14)7-10(12)16/h8-9H,2-7H2,1H3,(H2,12,16)
InChIKeySFRCHMWGPMWDJR-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.07
Rot. Bonds3

About 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide

2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide (PubChem CID 63336059) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide
PubChem CID63336059
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide
SMILESCC1CC1C(=O)N1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H19N3OS/c1-8-6-9(8)11(15)14-4-2-13(3-5-14)7-10(12)16/h8-9H,2-7H2,1H3,(H2,12,16)
InChIKeySFRCHMWGPMWDJR-UHFFFAOYSA-N
XLogP0.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.07
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-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
2-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanethioamide
CID 55201182
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
N-(4-fluorophenyl)-2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]acetamide
CID 9021895
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2-methylcyclopropyl)methanone
CID 63394830
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 71988957
2-[4-(2-propylpentanoyl)piperazin-1-yl]ethanethioamide
CID 82984936
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide (CID 63336059) is 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide is CC1CC1C(=O)N1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide?
The InChIKey is SFRCHMWGPMWDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-6-9(8)11(15)14-4-2-13(3-5-14)7-10(12)16/h8-9H,2-7H2,1H3,(H2,12,16).
What are the key properties of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide?
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide has a molecular weight of 241.36 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]ethanethioamide is sourced from PubChem (CID 63336059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).