propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate

C11H22N4O2S — CID 154982276

IUPACpropan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate
SMILESCCS/C(=N\N)N1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C11H22N4O2S/c1-4-18-10(13-12)14-5-7-15(8-6-14)11(16)17-9(2)3/h9H,4-8,12H2,1-3H3/b13-10-
InChIKeyASLNMTNUOUOSMH-RAXLEYEMSA-N
MW274.39 g/mol
LogP1.13
Rot. Bonds2

About propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate

propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate (PubChem CID 154982276) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate
PubChem CID154982276
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Namepropan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate
SMILESCCS/C(=N\N)N1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C11H22N4O2S/c1-4-18-10(13-12)14-5-7-15(8-6-14)11(16)17-9(2)3/h9H,4-8,12H2,1-3H3/b13-10-
InChIKeyASLNMTNUOUOSMH-RAXLEYEMSA-N
XLogP1.13
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate 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

propan-2-yl 4,4-diethylpiperidine-1-carboxylate
CID 116655860
propan-2-yl 4-(cyanomethyl)piperazine-1-carboxylate
CID 63336764
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
propan-2-yl ethylsulfanylformate
CID 130241009
2-(4-propan-2-yloxycarbonyl-1,4-diazepan-1-yl)acetic acid
CID 55119006
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
CID 142975132
4-O-tert-butyl 1-O-propan-2-yl piperazine-1,4-dicarboxylate;formic acid
CID 142002254
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
4-O,7-O-ditert-butyl 1-O-propan-2-yl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 58918460
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
propan-2-yl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 79410861

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate (CID 154982276) is propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate is CCS/C(=N\N)N1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate?
The InChIKey is ASLNMTNUOUOSMH-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-18-10(13-12)14-5-7-15(8-6-14)11(16)17-9(2)3/h9H,4-8,12H2,1-3H3/b13-10-.
What are the key properties of propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate?
propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate has a molecular weight of 274.39 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(Z)-C-ethylsulfanylcarbonohydrazonoyl]piperazine-1-carboxylate is sourced from PubChem (CID 154982276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).