4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide

C11H23NO4S — CID 58283361

IUPAC4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)OCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-11(2,3)16-10-15-7-4-12-5-8-17(13,14)9-6-12/h4-10H2,1-3H3
InChIKeyMSTSIURRGPPARH-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.51
Rot. Bonds5

About 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283361) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283361
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)OCOCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-11(2,3)16-10-15-7-4-12-5-8-17(13,14)9-6-12/h4-10H2,1-3H3
InChIKeyMSTSIURRGPPARH-UHFFFAOYSA-N
XLogP0.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.51
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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Related Compounds

(1S)-4-(2,2-dimethoxyethyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 99640580
2-(1,1-Dioxo-1,4-thiazinan-4-yl)ethyl methyl carbonate
CID 58283123
2-(1,1-Dioxo-1,4-thiazinan-4-yl)ethoxymethyl propanoate
CID 58283129
4-[2-(1-Ethoxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283200
4-[2-(Methoxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283230
4-[2-(Cyclopentyloxymethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283265
4-[2-(2-Methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283268
2-(1,1-Dioxo-1,4-thiazinan-4-yl)ethoxymethyl 2,2-dimethylpropanoate
CID 58283306
4-[2-(1-Ethoxyethoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283312
Tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl carbonate
CID 58283325
4-[2-(1-Ethoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283340
4-[2-[1-[(2-Methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283342

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283361) is 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide is CC(C)(C)OCOCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MSTSIURRGPPARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-11(2,3)16-10-15-7-4-12-5-8-17(13,14)9-6-12/h4-10H2,1-3H3.
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 265.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).