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

C13H24N4OS — CID 63336169

IUPAC2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCN(CC(N)=S)CC1)C1CC1
InChIInChI=1S/C13H24N4OS/c1-2-17(11-3-4-11)13(18)10-16-7-5-15(6-8-16)9-12(14)19/h11H,2-10H2,1H3,(H2,14,19)
InChIKeyIUMDELGJKALYTA-UHFFFAOYSA-N
MW284.43 g/mol
LogP-0.10
Rot. Bonds6

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

2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 63336169) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID63336169
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCN(CC(N)=S)CC1)C1CC1
InChIInChI=1S/C13H24N4OS/c1-2-17(11-3-4-11)13(18)10-16-7-5-15(6-8-16)9-12(14)19/h11H,2-10H2,1H3,(H2,14,19)
InChIKeyIUMDELGJKALYTA-UHFFFAOYSA-N
XLogP-0.10
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 5-0.10
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-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63341914
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63339432
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-[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
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79993534
2-(3-carbamothioyl-1,2,4-triazol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 62950723
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide (CID 63336169) is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1CCN(CC(N)=S)CC1)C1CC1.
What is the InChIKey of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is IUMDELGJKALYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-2-17(11-3-4-11)13(18)10-16-7-5-15(6-8-16)9-12(14)19/h11H,2-10H2,1H3,(H2,14,19).
What are the key properties of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 284.43 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 63336169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).