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

C10H20N4OS — CID 63342621

IUPAC2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C(N)=S)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C10H20N4OS/c1-10(2,9(12)16)14-5-3-13(4-6-14)7-8(11)15/h3-7H2,1-2H3,(H2,11,15)(H2,12,16)
InChIKeyLURBYHOSBOYAPE-UHFFFAOYSA-N
MW244.36 g/mol
LogP-0.85
Rot. Bonds4

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

2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 63342621) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide
PubChem CID63342621
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C(N)=S)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C10H20N4OS/c1-10(2,9(12)16)14-5-3-13(4-6-14)7-8(11)15/h3-7H2,1-2H3,(H2,11,15)(H2,12,16)
InChIKeyLURBYHOSBOYAPE-UHFFFAOYSA-N
XLogP-0.85
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

methyl 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetate
CID 55201221
2-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanethioamide
CID 63342451
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropanethioamide
CID 63342755
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801
2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetamide
CID 164740078
4-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N,N-dimethylbutanamide
CID 63342444
2-methyl-2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanethioamide
CID 103134287
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342536
2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342490
2-methyl-2-(4-pentanoylpiperazin-1-yl)propanethioamide
CID 63343731
2-(azetidin-1-yl)acetamide
CID 18923030
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide
CID 63341842

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide (CID 63342621) is 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide is CC(C)(C(N)=S)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is LURBYHOSBOYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-10(2,9(12)16)14-5-3-13(4-6-14)7-8(11)15/h3-7H2,1-2H3,(H2,11,15)(H2,12,16).
What are the key properties of 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide?
2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 244.36 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 63342621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).