6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol

C11H19NOS — CID 129015895

IUPAC6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol
SMILESC/C=C(/CC)C1=C(S)C(CN)OCC1
InChIInChI=1S/C11H19NOS/c1-3-8(4-2)9-5-6-13-10(7-12)11(9)14/h3,10,14H,4-7,12H2,1-2H3/b8-3-
InChIKeyZJJFWYICPQKHQE-BAQGIRSFSA-N
MW213.35 g/mol
LogP2.27
Rot. Bonds3

About 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol

6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol (PubChem CID 129015895) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol.

Molecular Properties

Compound Name6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol
PubChem CID129015895
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol
SMILESC/C=C(/CC)C1=C(S)C(CN)OCC1
InChIInChI=1S/C11H19NOS/c1-3-8(4-2)9-5-6-13-10(7-12)11(9)14/h3,10,14H,4-7,12H2,1-2H3/b8-3-
InChIKeyZJJFWYICPQKHQE-BAQGIRSFSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol?
The IUPAC name of 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol (CID 129015895) is 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol.
What is the SMILES notation for 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol?
The canonical SMILES for 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol is C/C=C(/CC)C1=C(S)C(CN)OCC1.
What is the InChIKey of 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol?
The InChIKey is ZJJFWYICPQKHQE-BAQGIRSFSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-8(4-2)9-5-6-13-10(7-12)11(9)14/h3,10,14H,4-7,12H2,1-2H3/b8-3-.
What are the key properties of 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol?
6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol has a molecular weight of 213.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol is sourced from PubChem (CID 129015895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).