2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide

C14H26N4OS — CID 63341914

IUPAC2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCN(C(C)C(N)=S)CC1)C1CC1
InChIInChI=1S/C14H26N4OS/c1-3-18(12-4-5-12)13(19)10-16-6-8-17(9-7-16)11(2)14(15)20/h11-12H,3-10H2,1-2H3,(H2,15,20)
InChIKeyUFSZNOPTLKFDAK-UHFFFAOYSA-N
MW298.46 g/mol
LogP0.29
Rot. Bonds6

About 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide

2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 63341914) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID63341914
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCN(C(C)C(N)=S)CC1)C1CC1
InChIInChI=1S/C14H26N4OS/c1-3-18(12-4-5-12)13(19)10-16-6-8-17(9-7-16)11(2)14(15)20/h11-12H,3-10H2,1-2H3,(H2,15,20)
InChIKeyUFSZNOPTLKFDAK-UHFFFAOYSA-N
XLogP0.29
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63336169
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63339432
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63342087
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63341524
2-(4-nonylpiperazin-1-yl)propanethioamide
CID 63341790
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
N-cyclopropyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728655
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63339686
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 61488497
N-cyclopropyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 55648073

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide (CID 63341914) is 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1CCN(C(C)C(N)=S)CC1)C1CC1.
What is the InChIKey of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is UFSZNOPTLKFDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-3-18(12-4-5-12)13(19)10-16-6-8-17(9-7-16)11(2)14(15)20/h11-12H,3-10H2,1-2H3,(H2,15,20).
What are the key properties of 2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 298.46 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 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-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 63341914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).