[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine

C15H28N2O2S2 — CID 105259501

IUPAC[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCC1SCCSC1C(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28N2O2S2/c1-11-14(21-9-8-20-11)13(17-16)12-2-5-19-15(10-12)3-6-18-7-4-15/h11-14,17H,2-10,16H2,1H3
InChIKeyHCHRZKMDXPTMBI-UHFFFAOYSA-N
MW332.54 g/mol
LogP2.03
Rot. Bonds3

About [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine

[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105259501) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105259501
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC Name[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCC1SCCSC1C(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28N2O2S2/c1-11-14(21-9-8-20-11)13(17-16)12-2-5-19-15(10-12)3-6-18-7-4-15/h11-14,17H,2-10,16H2,1H3
InChIKeyHCHRZKMDXPTMBI-UHFFFAOYSA-N
XLogP2.03
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 52.03
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

[cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105204290
N-[(3-methyl-1,4-dithian-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115387067
[2,6-dioxaspiro[4.5]decan-9-yl(oxan-4-yl)methyl]hydrazine
CID 105229794
2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
CID 115386175
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
[1-oxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]hydrazine
CID 105255583
(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113299386
[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105201946
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265992
N-[1,9-dioxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80621542
[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105249551
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241

Frequently Asked Questions

What is the IUPAC name of [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (CID 105259501) is [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is CC1SCCSC1C(NN)C1CCOC2(CCOCC2)C1.
What is the InChIKey of [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is HCHRZKMDXPTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-11-14(21-9-8-20-11)13(17-16)12-2-5-19-15(10-12)3-6-18-7-4-15/h11-14,17H,2-10,16H2,1H3.
What are the key properties of [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 332.54 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105259501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).