2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide

C10H20N4OS — CID 63341842

IUPAC2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide
SMILESCCC(C(N)=S)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C10H20N4OS/c1-2-8(10(12)16)14-5-3-13(4-6-14)7-9(11)15/h8H,2-7H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyYQMXYJRRHWBLOQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP-0.85
Rot. Bonds5

About 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide

2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide (PubChem CID 63341842) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide
PubChem CID63341842
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide
SMILESCCC(C(N)=S)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C10H20N4OS/c1-2-8(10(12)16)14-5-3-13(4-6-14)7-9(11)15/h8H,2-7H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyYQMXYJRRHWBLOQ-UHFFFAOYSA-N
XLogP-0.85
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 63341452
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]butanethioamide
CID 82888621
2-[4-(6-hydroxyhexyl)piperazin-1-yl]butanethioamide
CID 107703812
ethyl 4-(1-amino-1-sulfanylidenebutan-2-yl)piperazine-1-carboxylate
CID 63344052
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]butanethioamide
CID 82850791
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]pentanoic acid
CID 83041982
2-(4-butanoylpiperazin-1-yl)butanethioamide
CID 63340184
2-[4-(3-hydroxy-3-methylbutyl)piperazin-1-yl]butanethioamide
CID 79356102
3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 63341711
2-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]butanethioamide
CID 106724864
2-[4-(dimethylsulfamoyl)piperazin-1-yl]butanethioamide
CID 55203141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide (CID 63341842) is 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide is CCC(C(N)=S)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is YQMXYJRRHWBLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-2-8(10(12)16)14-5-3-13(4-6-14)7-9(11)15/h8H,2-7H2,1H3,(H2,11,15)(H2,12,16).
What are the key properties of 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide?
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 244.36 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 63341842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).