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

C16H23IN2OS — CID 105326001

IUPAC[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1cccc(I)c1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H23IN2OS/c17-14-3-1-2-12(10-14)15(19-18)13-4-7-20-16(11-13)5-8-21-9-6-16/h1-3,10,13,15,19H,4-9,11,18H2
InChIKeyRURQSYXHDMPIRD-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.49
Rot. Bonds3

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

[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105326001) has the molecular formula C16H23IN2OS and a molecular weight of 418.34 g/mol. Its IUPAC name is [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105326001
Molecular FormulaC16H23IN2OS
Molecular Weight418.34 g/mol
Exact Mass418.06
IUPAC Name[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1cccc(I)c1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H23IN2OS/c17-14-3-1-2-12(10-14)15(19-18)13-4-7-20-16(11-13)5-8-21-9-6-16/h1-3,10,13,15,19H,4-9,11,18H2
InChIKeyRURQSYXHDMPIRD-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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
[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105252653
1-(3-bromophenyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79907540
3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline
CID 105322169
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325971
[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 103217634
(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819602
N-methyl-1-(3-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914625
[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326044
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254321
[(3-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325887

Frequently Asked Questions

What is the IUPAC name of [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105326001) is [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is NNC(c1cccc(I)c1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is RURQSYXHDMPIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2OS/c17-14-3-1-2-12(10-14)15(19-18)13-4-7-20-16(11-13)5-8-21-9-6-16/h1-3,10,13,15,19H,4-9,11,18H2.
What are the key properties of [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 418.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105326001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).