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

C14H26N4O2S — CID 63341524

IUPAC2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCC(C(N)=S)N1CCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H26N4O2S/c1-11(14(15)21)18-6-4-17(5-7-18)10-13(19)16-12-2-8-20-9-3-12/h11-12H,2-10H2,1H3,(H2,15,21)(H,16,19)
InChIKeyKRPKHNRASUADTP-UHFFFAOYSA-N
MW314.46 g/mol
LogP-0.43
Rot. Bonds5

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

2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 63341524) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID63341524
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCC(C(N)=S)N1CCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H26N4O2S/c1-11(14(15)21)18-6-4-17(5-7-18)10-13(19)16-12-2-8-20-9-3-12/h11-12H,2-10H2,1H3,(H2,15,21)(H,16,19)
InChIKeyKRPKHNRASUADTP-UHFFFAOYSA-N
XLogP-0.43
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63339437
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63342087
N-cyclopropyl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 127274229
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63341913
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63099068
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide
CID 103576576
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 95934647
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63341914
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide (CID 63341524) is 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide is CC(C(N)=S)N1CCN(CC(=O)NC2CCOCC2)CC1.
What is the InChIKey of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is KRPKHNRASUADTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-11(14(15)21)18-6-4-17(5-7-18)10-13(19)16-12-2-8-20-9-3-12/h11-12H,2-10H2,1H3,(H2,15,21)(H,16,19).
What are the key properties of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 314.46 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63341524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).