[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine

C16H25N3OS — CID 105212345

IUPAC[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1ccncc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H25N3OS/c17-19-15(11-13-1-6-18-7-2-13)14-3-8-20-16(12-14)4-9-21-10-5-16/h1-2,6-7,14-15,19H,3-5,8-12,17H2
InChIKeyOVGVPTNUBMVAJC-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.15
Rot. Bonds4

About [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine

[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine (PubChem CID 105212345) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
PubChem CID105212345
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1ccncc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H25N3OS/c17-19-15(11-13-1-6-18-7-2-13)14-3-8-20-16(12-14)4-9-21-10-5-16/h1-2,6-7,14-15,19H,3-5,8-12,17H2
InChIKeyOVGVPTNUBMVAJC-UHFFFAOYSA-N
XLogP2.15
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
CID 79914473
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
CID 79908948
[2-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105197807
N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-amine
CID 105170669
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanamine
CID 79914945
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
[2-(2-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105209506
3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105259141
[2-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105214641
[2-(3-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105204873
[2-(1-methoxycyclobutyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]hydrazine
CID 103560547
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944

Frequently Asked Questions

What is the IUPAC name of [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine?
The IUPAC name of [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine (CID 105212345) is [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine.
What is the SMILES notation for [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine?
The canonical SMILES for [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine is NNC(Cc1ccncc1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine?
The InChIKey is OVGVPTNUBMVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c17-19-15(11-13-1-6-18-7-2-13)14-3-8-20-16(12-14)4-9-21-10-5-16/h1-2,6-7,14-15,19H,3-5,8-12,17H2.
What are the key properties of [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine?
[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine has a molecular weight of 307.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine is sourced from PubChem (CID 105212345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).