(6S)-6-sulfanylazepan-2-one

C6H11NOS — CID 155223295

IUPAC(6S)-6-sulfanylazepan-2-one
SMILESO=C1CCC[C@H](S)CN1
InChIInChI=1S/C6H11NOS/c8-6-3-1-2-5(9)4-7-6/h5,9H,1-4H2,(H,7,8)/t5-/m0/s1
InChIKeyRIDLFNWHVGDQPT-YFKPBYRVSA-N
MW145.23 g/mol
LogP0.58
Rot. Bonds

About (6S)-6-sulfanylazepan-2-one

(6S)-6-sulfanylazepan-2-one (PubChem CID 155223295) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (6S)-6-sulfanylazepan-2-one.

Molecular Properties

Compound Name(6S)-6-sulfanylazepan-2-one
PubChem CID155223295
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(6S)-6-sulfanylazepan-2-one
SMILESO=C1CCC[C@H](S)CN1
InChIInChI=1S/C6H11NOS/c8-6-3-1-2-5(9)4-7-6/h5,9H,1-4H2,(H,7,8)/t5-/m0/s1
InChIKeyRIDLFNWHVGDQPT-YFKPBYRVSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (6S)-6-sulfanylazepan-2-one?
The IUPAC name of (6S)-6-sulfanylazepan-2-one (CID 155223295) is (6S)-6-sulfanylazepan-2-one.
What is the SMILES notation for (6S)-6-sulfanylazepan-2-one?
The canonical SMILES for (6S)-6-sulfanylazepan-2-one is O=C1CCC[C@H](S)CN1.
What is the InChIKey of (6S)-6-sulfanylazepan-2-one?
The InChIKey is RIDLFNWHVGDQPT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NOS/c8-6-3-1-2-5(9)4-7-6/h5,9H,1-4H2,(H,7,8)/t5-/m0/s1.
What are the key properties of (6S)-6-sulfanylazepan-2-one?
(6S)-6-sulfanylazepan-2-one has a molecular weight of 145.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-sulfanylazepan-2-one is sourced from PubChem (CID 155223295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).