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

C15H22ClN3OS — CID 105252653

IUPAC[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1ccnc(Cl)c1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H22ClN3OS/c16-13-9-11(1-5-18-13)14(19-17)12-2-6-20-15(10-12)3-7-21-8-4-15/h1,5,9,12,14,19H,2-4,6-8,10,17H2
InChIKeyNVMXZLYNGUTVJL-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.93
Rot. Bonds3

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

[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105252653) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105252653
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1ccnc(Cl)c1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H22ClN3OS/c16-13-9-11(1-5-18-13)14(19-17)12-2-6-20-15(10-12)3-7-21-8-4-15/h1,5,9,12,14,19H,2-4,6-8,10,17H2
InChIKeyNVMXZLYNGUTVJL-UHFFFAOYSA-N
XLogP2.93
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254321
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
[(3-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325887
N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106755665
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325971
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254675
1-(2-chlorofuran-3-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106692730
[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 103217634

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105252653) is [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is NNC(c1ccnc(Cl)c1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is NVMXZLYNGUTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c16-13-9-11(1-5-18-13)14(19-17)12-2-6-20-15(10-12)3-7-21-8-4-15/h1,5,9,12,14,19H,2-4,6-8,10,17H2.
What are the key properties of [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 327.88 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105252653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).