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

C13H27NO4S — CID 58283492

IUPAC4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCC(OCCN1CCS(=O)(=O)CC1)OC(C)(C)C
InChIInChI=1S/C13H27NO4S/c1-5-12(18-13(2,3)4)17-9-6-14-7-10-19(15,16)11-8-14/h12H,5-11H2,1-4H3
InChIKeyMTEFDSPKPHZAAM-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.28
Rot. Bonds6

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

4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283492) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283492
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCC(OCCN1CCS(=O)(=O)CC1)OC(C)(C)C
InChIInChI=1S/C13H27NO4S/c1-5-12(18-13(2,3)4)17-9-6-14-7-10-19(15,16)11-8-14/h12H,5-11H2,1-4H3
InChIKeyMTEFDSPKPHZAAM-UHFFFAOYSA-N
XLogP1.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-Tert-butylsulfonylethoxy)morpholine
CID 19697076
2-(2-Propan-2-ylsulfonylethoxy)morpholine
CID 53695604
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-(2-Methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283268
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
4-[2-[(2-Methylpropan-2-yl)oxymethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283361
4-[2-(1-Methoxy-2-methylpropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
CID 58283382

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283492) is 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide is CCC(OCCN1CCS(=O)(=O)CC1)OC(C)(C)C.
What is the InChIKey of 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MTEFDSPKPHZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-5-12(18-13(2,3)4)17-9-6-14-7-10-19(15,16)11-8-14/h12H,5-11H2,1-4H3.
What are the key properties of 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 293.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).