(Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol

C11H19NOS — CID 163952404

IUPAC(Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol
SMILESCCC1=C(/C=C\S)CCO[C@@H]1[C@H](C)N
InChIInChI=1S/C11H19NOS/c1-3-10-9(5-7-14)4-6-13-11(10)8(2)12/h5,7-8,11,14H,3-4,6,12H2,1-2H3/b7-5-/t8-,11+/m0/s1
InChIKeySALMAFXGWGHZAA-RFXGKBGXSA-N
MW213.35 g/mol
LogP2.27
Rot. Bonds3

About (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol

(Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol (PubChem CID 163952404) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol
PubChem CID163952404
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name(Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol
SMILESCCC1=C(/C=C\S)CCO[C@@H]1[C@H](C)N
InChIInChI=1S/C11H19NOS/c1-3-10-9(5-7-14)4-6-13-11(10)8(2)12/h5,7-8,11,14H,3-4,6,12H2,1-2H3/b7-5-/t8-,11+/m0/s1
InChIKeySALMAFXGWGHZAA-RFXGKBGXSA-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 (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol?
The IUPAC name of (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol (CID 163952404) is (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol.
What is the SMILES notation for (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol?
The canonical SMILES for (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol is CCC1=C(/C=C\S)CCO[C@@H]1[C@H](C)N.
What is the InChIKey of (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol?
The InChIKey is SALMAFXGWGHZAA-RFXGKBGXSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-10-9(5-7-14)4-6-13-11(10)8(2)12/h5,7-8,11,14H,3-4,6,12H2,1-2H3/b7-5-/t8-,11+/m0/s1.
What are the key properties of (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol?
(Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol 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 (Z)-2-[(6S)-6-[(1S)-1-aminoethyl]-5-ethyl-3,6-dihydro-2H-pyran-4-yl]ethenethiol is sourced from PubChem (CID 163952404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).