4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide

C12H23NO4S — CID 58283265

IUPAC4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCOCOC2CCCC2)CC1
InChIInChI=1S/C12H23NO4S/c14-18(15)9-6-13(7-10-18)5-8-16-11-17-12-3-1-2-4-12/h12H,1-11H2
InChIKeyZBLZZSMGZMQFOK-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.65
Rot. Bonds6

About 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283265) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283265
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCOCOC2CCCC2)CC1
InChIInChI=1S/C12H23NO4S/c14-18(15)9-6-13(7-10-18)5-8-16-11-17-12-3-1-2-4-12/h12H,1-11H2
InChIKeyZBLZZSMGZMQFOK-UHFFFAOYSA-N
XLogP0.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283265) is 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCOCOC2CCCC2)CC1.
What is the InChIKey of 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZBLZZSMGZMQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c14-18(15)9-6-13(7-10-18)5-8-16-11-17-12-3-1-2-4-12/h12H,1-11H2.
What are the key properties of 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 277.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).