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

C15H22ClN3OS — CID 105326042

IUPAC[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1ccncc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H22ClN3OS/c16-13-10-18-5-1-12(13)14(19-17)11-2-6-20-15(9-11)3-7-21-8-4-15/h1,5,10-11,14,19H,2-4,6-9,17H2
InChIKeyRMDKGVYRVDBRLT-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.93
Rot. Bonds3

About [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine

[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105326042) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105326042
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1ccncc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H22ClN3OS/c16-13-10-18-5-1-12(13)14(19-17)11-2-6-20-15(9-11)3-7-21-8-4-15/h1,5,10-11,14,19H,2-4,6-9,17H2
InChIKeyRMDKGVYRVDBRLT-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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105170874
[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
1-(3-chloro-4-pyridinyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105170766
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247
[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105252653
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279773
[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258737
[(3-methylimidazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105264573
[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212345

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105326042) is [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is NNC(c1ccncc1Cl)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is RMDKGVYRVDBRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c16-13-10-18-5-1-12(13)14(19-17)11-2-6-20-15(9-11)3-7-21-8-4-15/h1,5,10-11,14,19H,2-4,6-9,17H2.
What are the key properties of [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(3-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 [(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105326042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).