[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine

C14H26N2O2S2 — CID 105249551

IUPAC[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(C1CCOC2(CCSCC2)C1)C1CSCCO1
InChIInChI=1S/C14H26N2O2S2/c15-16-13(12-10-20-8-5-17-12)11-1-4-18-14(9-11)2-6-19-7-3-14/h11-13,16H,1-10,15H2
InChIKeyZZMKZJBKKSDZSL-UHFFFAOYSA-N
MW318.51 g/mol
LogP1.64
Rot. Bonds3

About [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine

[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105249551) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105249551
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(C1CCOC2(CCSCC2)C1)C1CSCCO1
InChIInChI=1S/C14H26N2O2S2/c15-16-13(12-10-20-8-5-17-12)11-1-4-18-14(9-11)2-6-19-7-3-14/h11-13,16H,1-10,15H2
InChIKeyZZMKZJBKKSDZSL-UHFFFAOYSA-N
XLogP1.64
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909
[cyclopentyl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249541
1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
CID 79963284
[cycloheptyl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249607
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-3-yl)methyl]ethanamine
CID 105170844
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107004814
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105018040
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062
[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259501
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105201946
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523

Frequently Asked Questions

What is the IUPAC name of [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105249551) is [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is NNC(C1CCOC2(CCSCC2)C1)C1CSCCO1.
What is the InChIKey of [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is ZZMKZJBKKSDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c15-16-13(12-10-20-8-5-17-12)11-1-4-18-14(9-11)2-6-19-7-3-14/h11-13,16H,1-10,15H2.
What are the key properties of [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 318.51 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105249551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).