tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate

C10H18IN3O2S — CID 145358824

IUPACtert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=NNSI)CC1
InChIInChI=1S/C10H18IN3O2S/c1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-17-11/h13H,4-7H2,1-3H3
InChIKeyAPDIVVUVWTWCPG-UHFFFAOYSA-N
MW371.24 g/mol
LogP2.96
Rot. Bonds2

About tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate

tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate (PubChem CID 145358824) has the molecular formula C10H18IN3O2S and a molecular weight of 371.24 g/mol. Its IUPAC name is tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate
PubChem CID145358824
Molecular FormulaC10H18IN3O2S
Molecular Weight371.24 g/mol
Exact Mass371.02
IUPAC Nametert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=NNSI)CC1
InChIInChI=1S/C10H18IN3O2S/c1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-17-11/h13H,4-7H2,1-3H3
InChIKeyAPDIVVUVWTWCPG-UHFFFAOYSA-N
XLogP2.96
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(methylhydrazinylidene)piperidine-1-carboxylate
CID 59463664
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736
tert-butyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 70701179
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
CID 88986772
CID 88986772
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-iminoazepane-1-carboxylate
CID 58958450
methyl 4-(methylhydrazinylidene)piperidine-1-carboxylate
CID 131203603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate (CID 145358824) is tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=NNSI)CC1.
What is the InChIKey of tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate?
The InChIKey is APDIVVUVWTWCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN3O2S/c1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-17-11/h13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate?
tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate has a molecular weight of 371.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate is sourced from PubChem (CID 145358824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).