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

C14H28N4OS — CID 63342087

IUPAC2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(C(C)C(N)=S)CC1
InChIInChI=1S/C14H28N4OS/c1-5-14(3,4)16-12(19)10-17-6-8-18(9-7-17)11(2)13(15)20/h11H,5-10H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyGWHDWCJWFXUMKJ-UHFFFAOYSA-N
MW300.47 g/mol
LogP0.58
Rot. Bonds6

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

2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 63342087) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID63342087
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(C(C)C(N)=S)CC1
InChIInChI=1S/C14H28N4OS/c1-5-14(3,4)16-12(19)10-17-6-8-18(9-7-17)11(2)13(15)20/h11H,5-10H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyGWHDWCJWFXUMKJ-UHFFFAOYSA-N
XLogP0.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55201592
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63341913
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63341524
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63101713
methyl 3-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79624818
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 46571303
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55204264
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63341914
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
2-(4-nonylpiperazin-1-yl)propanethioamide
CID 63341790

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 63342087) is 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCN(C(C)C(N)=S)CC1.
What is the InChIKey of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is GWHDWCJWFXUMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-5-14(3,4)16-12(19)10-17-6-8-18(9-7-17)11(2)13(15)20/h11H,5-10H2,1-4H3,(H2,15,20)(H,16,19).
What are the key properties of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 300.47 g/mol, XLogP of 0.58, 6 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-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63342087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).