[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine

C14H22N2OS — CID 105255493

IUPAC[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCC(C)Oc1ccccc1C(NN)C1CCCS1
InChIInChI=1S/C14H22N2OS/c1-10(2)17-12-7-4-3-6-11(12)14(16-15)13-8-5-9-18-13/h3-4,6-7,10,13-14,16H,5,8-9,15H2,1-2H3
InChIKeyUIPXEHJBRSFAKQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.87
Rot. Bonds5

About [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine

[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255493) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255493
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCC(C)Oc1ccccc1C(NN)C1CCCS1
InChIInChI=1S/C14H22N2OS/c1-10(2)17-12-7-4-3-6-11(12)14(16-15)13-8-5-9-18-13/h3-4,6-7,10,13-14,16H,5,8-9,15H2,1-2H3
InChIKeyUIPXEHJBRSFAKQ-UHFFFAOYSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805
[(3-methyloxolan-2-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326187
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255383
[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255377
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105255884
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690

Frequently Asked Questions

What is the IUPAC name of [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine (CID 105255493) is [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine is CC(C)Oc1ccccc1C(NN)C1CCCS1.
What is the InChIKey of [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is UIPXEHJBRSFAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)17-12-7-4-3-6-11(12)14(16-15)13-8-5-9-18-13/h3-4,6-7,10,13-14,16H,5,8-9,15H2,1-2H3.
What are the key properties of [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 266.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).