[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine

C16H20N2OS — CID 105217605

IUPAC[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine
SMILESNNC(c1ccsc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H20N2OS/c17-18-15(13-6-11-20-12-13)16(7-9-19-10-8-16)14-4-2-1-3-5-14/h1-6,11-12,15,18H,7-10,17H2
InChIKeyQPVIIFJDSGVISY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.00
Rot. Bonds4

About [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine

[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine (PubChem CID 105217605) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine
PubChem CID105217605
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine
SMILESNNC(c1ccsc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H20N2OS/c17-18-15(13-6-11-20-12-13)16(7-9-19-10-8-16)14-4-2-1-3-5-14/h1-6,11-12,15,18H,7-10,17H2
InChIKeyQPVIIFJDSGVISY-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(6-Fluoro-1-benzothiophen-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 113701725
[(5-Fluoro-1-benzothiophen-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 113701728
(4-(4-phenylthiophen-2-yl)tetrahydro-2H-pyran-4-yl)methanamine
CID 67324343
1-Benzothiophen-3-yl(oxan-4-yl)methanamine
CID 62905470
N-methyl-1-(4-phenyloxan-4-yl)-1-thiophen-2-ylmethanamine
CID 63081869
N-methyl-1-(4-phenyloxan-4-yl)-2-thiophen-2-ylethanamine
CID 63082040
N-methyl-1-(4-phenyloxan-4-yl)-2-thiophen-3-ylethanamine
CID 63082201
(4-Phenyloxan-4-yl)-thiophen-2-ylmethanamine
CID 63082544
1-(4-Phenyloxan-4-yl)-2-thiophen-2-ylethanamine
CID 63082895
1-(4-Phenyloxan-4-yl)-2-thiophen-3-ylethanamine
CID 63083069
N-[(4-phenyloxan-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 63083241
1-(4-Phenyloxan-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 63773525

Frequently Asked Questions

What is the IUPAC name of [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine?
The IUPAC name of [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine (CID 105217605) is [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine.
What is the SMILES notation for [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine?
The canonical SMILES for [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine is NNC(c1ccsc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine?
The InChIKey is QPVIIFJDSGVISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-18-15(13-6-11-20-12-13)16(7-9-19-10-8-16)14-4-2-1-3-5-14/h1-6,11-12,15,18H,7-10,17H2.
What are the key properties of [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine?
[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine has a molecular weight of 288.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine is sourced from PubChem (CID 105217605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).